CAS
955288-26-3 Purity
96%
955288-26-3 Purity
96%
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2-(3-fluoro-benzyl)-piperidine
CAS
955288-46-7
Catalog Number
ACM955288467
Category
Other Products
Molecular Weight
193.260543 [g/mol]
Molecular Formula
C12H16FN
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Specification
Synonyms
2-(3-fluoro-benzyl)-piperidine, 955288-46-7, 2-[(3-FLUOROPHENYL)METHYL]PIPERIDINE, AGN-PC-01A9DE, 2-(3-fluorobenzyl)piperidine, CTK5H7809, AKOS011517941, AB49926, AG-H-92986, KB-221776
IUPAC Name
2-[(3-fluorophenyl)methyl]piperidine
Canonical SMILES
C1CCNC(C1)CC2=CC(=CC=C2)F
InChI Key
IJYLFSLDAUJVGV-UHFFFAOYSA-N
Boiling Point
266.6ºC at 760 mmHg
Flash Point
115.1ºC
Density
1.044g/cm³
Exact Mass
193.12700
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound 2-(3-fluoro-benzyl)-piperidine according to the reference?
The molecular formula is C12H16FN.
What is the molecular weight of the compound?
The molecular weight is 193.26 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-[(3-fluorophenyl)methyl]piperidine.
What is the InChI of the compound?
The InChI is InChI=1S/C12H16FN/c13-11-5-3-4-10(8-11)9-12-6-1-2-7-14-12/h3-5,8,12,14H,1-2,6-7,9H2.
What is the InChIKey of the compound?
The InChIKey is IJYLFSLDAUJVGV-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1CCNC(C1)CC2=CC(=CC=C2)F.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.8.
How many Hydrogen Bond Donor Counts does the compound have?
The compound has 1 Hydrogen Bond Donor Count.
How many Rotatable Bond Counts does the compound have?
The compound has 2 Rotatable Bond Counts.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
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