1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid

C13H16FNO2 — CID 3939326

IUPAC1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cccc(F)c1
InChIInChI=1S/C13H16FNO2/c14-11-5-3-4-10(8-11)9-15-7-2-1-6-12(15)13(16)17/h3-5,8,12H,1-2,6-7,9H2,(H,16,17)
InChIKeyQEHMFYMCFXCQIA-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.26
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid

1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 3939326) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid
PubChem CID3939326
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cccc(F)c1
InChIInChI=1S/C13H16FNO2/c14-11-5-3-4-10(8-11)9-15-7-2-1-6-12(15)13(16)17/h3-5,8,12H,1-2,6-7,9H2,(H,16,17)
InChIKeyQEHMFYMCFXCQIA-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
1-Benzoylpiperidine-2-carboxylic acid
CID 358299
N-Benzyl-L-proline
CID 728719
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437
Phenyl-pyrrolidin-1-yl-acetic acid
CID 646078
Ethyl 1-benzylpiperidine-2-carboxylate
CID 2838690
Ethyl 1-(4-fluorobenzyl)-2-piperidinecarboxylate
CID 2837997
Ethyl 1-(3-fluorobenzyl)-2-piperidinecarboxylate
CID 2838709
Ethyl 1-[2-(trifluoromethyl)benzyl]-2-piperidinecarboxylate
CID 3246748
2-Phenyl-2-(pyrrolidin-1-yl)acetic acid hydrochloride
CID 6603112
2-(2-Methylpiperidin-1-yl)-2-phenylacetic acid hydrochloride
CID 16189438
2-(Dimethylamino)-2-phenylacetic acid
CID 315599

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid (CID 3939326) is 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is QEHMFYMCFXCQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-5-3-4-10(8-11)9-15-7-2-1-6-12(15)13(16)17/h3-5,8,12H,1-2,6-7,9H2,(H,16,17).
What are the key properties of 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid?
1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3939326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).