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

C13H16FNO2 — CID 4641825

IUPAC1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C13H16FNO2/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)
InChIKeyPSJJEFFBTUTEBB-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.12
Rot. Bonds3

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

1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 4641825) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
PubChem CID4641825
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C13H16FNO2/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)
InChIKeyPSJJEFFBTUTEBB-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83986150
1-[(3-fluoro-5-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4022885
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid
CID 82163378
1-[(4-phenylsulfanylphenyl)methyl]piperidine-4-carboxylic acid
CID 122035787
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
1-[(4-cyanophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 71432530
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 45014849
1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762838
1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 107882866
N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 42562266
1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53286131

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid (CID 4641825) is 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is PSJJEFFBTUTEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/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-fluorophenyl)methyl]piperidine-4-carboxylic acid?
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 4641825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).