3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid

C13H16FNO2 — CID 22318232

IUPAC3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO2/c14-12-5-3-10(4-6-12)8-11-2-1-7-15(9-11)13(16)17/h3-6,11H,1-2,7-9H2,(H,16,17)
InChIKeyJMMNXYFFBRPQFB-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.76
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid

3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid (PubChem CID 22318232) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
PubChem CID22318232
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO2/c14-12-5-3-10(4-6-12)8-11-2-1-7-15(9-11)13(16)17/h3-6,11H,1-2,7-9H2,(H,16,17)
InChIKeyJMMNXYFFBRPQFB-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, N-acetyl-4-benzyl-
CID 299608
1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 21133880
Tert-butyl 4-phenylpiperidine-1-carboxylate
CID 10015811
1-(4-Benzylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 897795
4-(4-Fluorobenzyl)-1-methylpiperidine
CID 14947166
SMARt751
CID 90254017
(4-Benzylpiperidin-1-yl)oxoacetic acid
CID 16110264
Methyl 4-benzylpiperidine-1-carboxylate
CID 1530077
Tert-butyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 11312007
1-Boc-3-(4-fluorophenyl)piperidine
CID 122234266
4-(Phenylmethyl)-1-piperidinecarbonyl chloride
CID 18328685
3-[2-(2,6-Difluorophenyl)ethyl]-1-(4,4,4-trifluorobutanoyl)piperidine
CID 45221251

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid (CID 22318232) is 3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid is O=C(O)N1CCCC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid?
The InChIKey is JMMNXYFFBRPQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-12-5-3-10(4-6-12)8-11-2-1-7-15(9-11)13(16)17/h3-6,11H,1-2,7-9H2,(H,16,17).
What are the key properties of 3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid?
3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22318232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).