[1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine

C16H25FN2 — CID 114832334

IUPAC[1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(C(C)Cc2ccccc2F)C1CN
InChIInChI=1S/C16H25FN2/c1-12-6-5-9-19(16(12)11-18)13(2)10-14-7-3-4-8-15(14)17/h3-4,7-8,12-13,16H,5-6,9-11,18H2,1-2H3
InChIKeyNYXQCVCOPBCPNR-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.82
Rot. Bonds4

About [1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine

[1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine (PubChem CID 114832334) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is [1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine
PubChem CID114832334
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name[1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(C(C)Cc2ccccc2F)C1CN
InChIInChI=1S/C16H25FN2/c1-12-6-5-9-19(16(12)11-18)13(2)10-14-7-3-4-8-15(14)17/h3-4,7-8,12-13,16H,5-6,9-11,18H2,1-2H3
InChIKeyNYXQCVCOPBCPNR-UHFFFAOYSA-N
XLogP2.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine 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-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine
CID 114832487
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]propan-1-ol
CID 130503327
2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
CID 114832329
1-[1-(2-fluorophenyl)propan-2-yl]azepane-2-carboxylic acid
CID 114834790
1-[1-(2-fluorophenyl)propan-2-yl]-N-methylpiperidin-3-amine
CID 114832275
[1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119925929
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-4-piperidin-1-ylpiperidine
CID 30980084
N-[[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]methyl]propan-2-amine
CID 114832283
1-(2-fluorophenyl)-4-[(2R)-2-methylpyrrolidin-1-yl]butan-2-amine
CID 143151495
(2R,6R)-4-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2,6-dimethylmorpholine
CID 30979549
2-(2-fluorophenyl)-N-methyl-1-(2-methylcyclopentyl)ethanamine
CID 107179552
1-[1-(2-fluorophenyl)propan-2-yl]-3,5-dimethylpiperazine
CID 114832318

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine (CID 114832334) is [1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine is CC1CCCN(C(C)Cc2ccccc2F)C1CN.
What is the InChIKey of [1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine?
The InChIKey is NYXQCVCOPBCPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-6-5-9-19(16(12)11-18)13(2)10-14-7-3-4-8-15(14)17/h3-4,7-8,12-13,16H,5-6,9-11,18H2,1-2H3.
What are the key properties of [1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine?
[1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine has a molecular weight of 264.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-fluorophenyl)propan-2-yl]-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 114832334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).