1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid

C16H22FNO2 — CID 114834742

IUPAC1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid
SMILESCC(Cc1cccc(F)c1)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C16H22FNO2/c1-12(10-13-4-3-5-14(17)11-13)18-8-6-16(2,7-9-18)15(19)20/h3-5,11-12H,6-10H2,1-2H3,(H,19,20)
InChIKeyAGVKJURUWCHSCM-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.94
Rot. Bonds4

About 1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid

1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 114834742) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid
PubChem CID114834742
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid
SMILESCC(Cc1cccc(F)c1)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C16H22FNO2/c1-12(10-13-4-3-5-14(17)11-13)18-8-6-16(2,7-9-18)15(19)20/h3-5,11-12H,6-10H2,1-2H3,(H,19,20)
InChIKeyAGVKJURUWCHSCM-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 114834766
2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 114834819
4-methyl-1-(1-phenylbutan-2-yl)piperidine-4-carboxylic acid
CID 79008198
1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 119176556
1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine
CID 114832354
4-(3-fluorophenyl)-2,3-dimethylbutanoic acid
CID 81008506
1-[1-(3-fluorophenyl)-3-methylbutan-2-yl]piperidine-3-carboxylic acid
CID 84751556
1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide
CID 126819981
1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146213
1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 119350665
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid
CID 62310279
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 65064604

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid (CID 114834742) is 1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid is CC(Cc1cccc(F)c1)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is AGVKJURUWCHSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-12(10-13-4-3-5-14(17)11-13)18-8-6-16(2,7-9-18)15(19)20/h3-5,11-12H,6-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid?
1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 279.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 114834742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).