3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one

C17H25FN2O — CID 50956361

IUPAC3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCc1ccc(F)cc1CNCCC(=O)N1CCCC(C)C1
InChIInChI=1S/C17H25FN2O/c1-13-4-3-9-20(12-13)17(21)7-8-19-11-15-10-16(18)6-5-14(15)2/h5-6,10,13,19H,3-4,7-9,11-12H2,1-2H3
InChIKeyFCCMTYFADMTITB-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.87
Rot. Bonds5

About 3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one

3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 50956361) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID50956361
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCc1ccc(F)cc1CNCCC(=O)N1CCCC(C)C1
InChIInChI=1S/C17H25FN2O/c1-13-4-3-9-20(12-13)17(21)7-8-19-11-15-10-16(18)6-5-14(15)2/h5-6,10,13,19H,3-4,7-9,11-12H2,1-2H3
InChIKeyFCCMTYFADMTITB-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110488890
2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110766864
2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 51192571
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 111845375
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635
1-(3-methylpiperidin-1-yl)-3-(2,3,4-trifluoroanilino)propan-1-one
CID 109032918
3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032853
3-[2-(4-chlorophenyl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109028026
N-(5-fluoro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 51454328
3-[2-(3-chlorophenyl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032811
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one (CID 50956361) is 3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one is Cc1ccc(F)cc1CNCCC(=O)N1CCCC(C)C1.
What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is FCCMTYFADMTITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13-4-3-9-20(12-13)17(21)7-8-19-11-15-10-16(18)6-5-14(15)2/h5-6,10,13,19H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one?
3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 292.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-methylphenyl)methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 50956361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).