4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid

C18H18ClFN2O2 — CID 56879646

IUPAC4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2Cl)CCN(c2ncccc2F)CC1
InChIInChI=1S/C18H18ClFN2O2/c19-14-5-2-1-4-13(14)12-18(17(23)24)7-10-22(11-8-18)16-15(20)6-3-9-21-16/h1-6,9H,7-8,10-12H2,(H,23,24)
InChIKeyIZJFCNPDQNXWOB-UHFFFAOYSA-N
MW348.80 g/mol
LogP3.79
Rot. Bonds4

About 4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid

4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 56879646) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.80 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid
PubChem CID56879646
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.80 g/mol
Exact Mass348.10
IUPAC Name4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(Cc2ccccc2Cl)CCN(c2ncccc2F)CC1
InChIInChI=1S/C18H18ClFN2O2/c19-14-5-2-1-4-13(14)12-18(17(23)24)7-10-22(11-8-18)16-15(20)6-3-9-21-16/h1-6,9H,7-8,10-12H2,(H,23,24)
InChIKeyIZJFCNPDQNXWOB-UHFFFAOYSA-N
XLogP3.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid (CID 56879646) is 4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid is O=C(O)C1(Cc2ccccc2Cl)CCN(c2ncccc2F)CC1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is IZJFCNPDQNXWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c19-14-5-2-1-4-13(14)12-18(17(23)24)7-10-22(11-8-18)16-15(20)6-3-9-21-16/h1-6,9H,7-8,10-12H2,(H,23,24).
What are the key properties of 4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid?
4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 348.80 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56879646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).