CAS
912763-69-0 Purity
96%
912763-69-0 Purity
96%
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N-Boc-4-(3-chlorobenzoyl)piperidine
CAS
912768-88-8
Catalog Number
ACM912768888
Category
Other Products
Molecular Weight
323.81
Molecular Formula
C17H22ClNO3
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Specification
Synonyms
4-(3-Chlorobenzoyl)-1-piperidinecarboxylic Acid 1,1-Dimethylethyl Ester;
IUPAC Name
tert-butyl 4-(3-chlorobenzoyl)piperidine-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)C2=CC(=CC=C2)Cl
InChI Key
BBHFUMRYWZDUMA-UHFFFAOYSA-N
Appearance
Clear Colourless Oil
Exact Mass
323.12900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of N-Boc-4-(3-chlorobenzoyl)piperidine?
The molecular formula of N-Boc-4-(3-chlorobenzoyl)piperidine is C17H22ClNO3.
What is the molecular weight of N-Boc-4-(3-chlorobenzoyl)piperidine?
The molecular weight of N-Boc-4-(3-chlorobenzoyl)piperidine is 323.8 g/mol.
When was N-Boc-4-(3-chlorobenzoyl)piperidine created and last modified?
N-Boc-4-(3-chlorobenzoyl)piperidine was created on 2009-05-28 and last modified on 2023-12-30.
What is the IUPAC name of N-Boc-4-(3-chlorobenzoyl)piperidine?
The IUPAC name of N-Boc-4-(3-chlorobenzoyl)piperidine is tert-butyl 4-(3-chlorobenzoyl)piperidine-1-carboxylate.
What is the InChI of N-Boc-4-(3-chlorobenzoyl)piperidine?
The InChI of N-Boc-4-(3-chlorobenzoyl)piperidine is InChI=1S/C17H22ClNO3/c1-17(2,3)22-16(21)19-9-7-12(8-10-19)15(20)13-5-4-6-14(18)11-13/h4-6,11-12H,7-10H2,1-3H3.
How many hydrogen bond donor counts does N-Boc-4-(3-chlorobenzoyl)piperidine have?
N-Boc-4-(3-chlorobenzoyl)piperidine has 0 hydrogen bond donor counts.
What is the topological polar surface area of N-Boc-4-(3-chlorobenzoyl)piperidine?
The topological polar surface area of N-Boc-4-(3-chlorobenzoyl)piperidine is 46.6 Ų.
Does N-Boc-4-(3-chlorobenzoyl)piperidine have any defined atom stereocenter counts?
N-Boc-4-(3-chlorobenzoyl)piperidine has 0 defined atom stereocenter counts.
How many rotatable bond counts does N-Boc-4-(3-chlorobenzoyl)piperidine have?
N-Boc-4-(3-chlorobenzoyl)piperidine has 4 rotatable bond counts.
Is N-Boc-4-(3-chlorobenzoyl)piperidine considered canonicalized?
Yes, N-Boc-4-(3-chlorobenzoyl)piperidine is considered canonicalized.
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