1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid

C13H16ClNO2 — CID 3159620

IUPAC1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClNO2/c14-12-3-1-10(2-4-12)9-15-7-5-11(6-8-15)13(16)17/h1-4,11H,5-9H2,(H,16,17)
InChIKeyFCNZWHCTMHUWMT-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.64
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid

1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 3159620) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid
PubChem CID3159620
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClNO2/c14-12-3-1-10(2-4-12)9-15-7-5-11(6-8-15)13(16)17/h1-4,11H,5-9H2,(H,16,17)
InChIKeyFCNZWHCTMHUWMT-UHFFFAOYSA-N
XLogP2.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid (CID 3159620) is 1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is FCNZWHCTMHUWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-12-3-1-10(2-4-12)9-15-7-5-11(6-8-15)13(16)17/h1-4,11H,5-9H2,(H,16,17).
What are the key properties of 1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid?
1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 253.73 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3159620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).