2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

C17H25FN2O2 — CID 97334409

IUPAC2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESCOc1cccc(F)c1[C@@H](C)NCC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C17H25FN2O2/c1-12-6-5-9-20(11-12)16(21)10-19-13(2)17-14(18)7-4-8-15(17)22-3/h4,7-8,12-13,19H,5-6,9-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyPNWHKVQURDBQCS-QWHCGFSZSA-N
MW308.40 g/mol
LogP2.74
Rot. Bonds5

About 2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone (PubChem CID 97334409) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
PubChem CID97334409
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESCOc1cccc(F)c1[C@@H](C)NCC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C17H25FN2O2/c1-12-6-5-9-20(11-12)16(21)10-19-13(2)17-14(18)7-4-8-15(17)22-3/h4,7-8,12-13,19H,5-6,9-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyPNWHKVQURDBQCS-QWHCGFSZSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone 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

2-[[(1S)-1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]amino]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 97334210
(3R)-3-(dimethylamino)-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 96565751
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate
CID 113261587
4-ethyl-N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 95968299
N-(2-cyclobutylethyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115893437
3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032853
2-cyclopropyl-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-1-amine
CID 113260684
2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 24818354
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115710006
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115724414

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone (CID 97334409) is 2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone is COc1cccc(F)c1[C@@H](C)NCC(=O)N1CCC[C@H](C)C1.
What is the InChIKey of 2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is PNWHKVQURDBQCS-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-12-6-5-9-20(11-12)16(21)10-19-13(2)17-14(18)7-4-8-15(17)22-3/h4,7-8,12-13,19H,5-6,9-11H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of 2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 308.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 97334409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).