CAS
92623-81-9 Purity
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92623-81-9 Purity
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1-(3-Cyanobenzyl)piperidine-4-carboxylic acid
CAS
926245-11-6
Catalog Number
ACM926245116
Category
Other Products
Molecular Weight
244.29
Molecular Formula
C14H16N2O2
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Specification
Synonyms
1-(3-CYANOBENZYL)PIPERIDINE-4-CARBOXYLIC ACID;1-[(3-CYANOPHENYL)METHYL]PIPERIDINE-4-CARBOXYLIC ACID;AKOS BBV-005826
IUPAC Name
1-[(3-cyanophenyl)methyl]piperidine-4-carboxylic acid
SMILES
C1CN(CCC1C(=O)O)CC2=CC=CC(=C2)C#N
InChI Key
TWLSSNOFMSOBPO-UHFFFAOYSA-N
Exact Mass
244.12100
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 1-(3-Cyanobenzyl)piperidine-4-carboxylic acid?
The molecular formula is C14H16N2O2.
When was 1-(3-Cyanobenzyl)piperidine-4-carboxylic acid created in PubChem?
It was created on 2007-11-13.
What is the molecular weight of 1-(3-Cyanobenzyl)piperidine-4-carboxylic acid?
The molecular weight is 244.29 g/mol.
What is the InChIKey of 1-(3-Cyanobenzyl)piperidine-4-carboxylic acid?
The InChIKey is TWLSSNOFMSOBPO-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1-(3-Cyanobenzyl)piperidine-4-carboxylic acid have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 1-(3-Cyanobenzyl)piperidine-4-carboxylic acid?
The topological polar surface area is 64.3 Ų.
Is 1-(3-Cyanobenzyl)piperidine-4-carboxylic acid a canonicalized compound?
Yes, it is canonicalized.
How many rotatable bond counts does 1-(3-Cyanobenzyl)piperidine-4-carboxylic acid have?
It has 3 rotatable bond counts.
What is the formal charge of 1-(3-Cyanobenzyl)piperidine-4-carboxylic acid?
The formal charge is 0.
How many heavy atoms does 1-(3-Cyanobenzyl)piperidine-4-carboxylic acid contain?
It contains 18 heavy atoms.
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