CAS
91926-90-8 Purity
96%
91926-90-8 Purity
96%
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tert-Butyl 4-(benzyloxymethyl)-4-cyanopiperidine-1-carboxylate
CAS
919284-64-3
Catalog Number
ACM919284643
Category
Other Products
Molecular Weight
330.421340 [g/mol]
Molecular Formula
C19H26N2O3
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Specification
Synonyms
tert-butyl 4-(benzyloxymethyl)-4-cyanopiperidine-1-carboxylate, 919284-64-3, 1-Piperidinecarboxylic acid, 4-cyano-4-[(phenylmethoxy)methyl]-, 1,1-dimethylethyl ester, SureCN1978811, MB10430, AK142312, KB-80925, AM20041409, FT-0660826, tert-Butyl 4-((benzyloxy)methyl)-4-cyanopiperidine-1-carboxylate
IUPAC Name
tert-butyl 4-cyano-4-(phenylmethoxymethyl)piperidine-1-carboxylate
Canonical SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(COCC2=CC=CC=C2)C#N
InChI Key
CHMOOTFDKMFVJJ-UHFFFAOYSA-N
Exact Mass
330.19400
H-Bond Acceptor
4
H-Bond Donor
0
What is the IUPAC name of the compound with PubChem CID 53485182?
The IUPAC name is tert-butyl 4-cyano-4-(phenylmethoxymethyl)piperidine-1-carboxylate.
What is the molecular formula of the compound?
The molecular formula is C19H26N2O3.
When was the compound created?
The compound was created on November 16, 2011.
What is the molecular weight of the compound?
The molecular weight is 330.4 g/mol.
What is the InChIKey of the compound?
The InChIKey is CHMOOTFDKMFVJJ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CC(C)(C)OC(=O)N1CCC(CC1)(COCC2=CC=CC=C2)C#N.
What is the CAS number of the compound?
The CAS number is 919284-64-3.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.5.
How many hydrogen bond donor count does the compound have?
The compound has 0 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 62.6 ?2.
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