1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone

C15H21FN2O — CID 103943635

IUPAC1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cc(F)ccc2C)CC1
InChIInChI=1S/C15H21FN2O/c1-11-3-4-14(16)9-13(11)10-17-15-5-7-18(8-6-15)12(2)19/h3-4,9,15,17H,5-8,10H2,1-2H3
InChIKeyFNXVMSSUKVTCLL-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.23
Rot. Bonds3

About 1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone

1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone (PubChem CID 103943635) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
PubChem CID103943635
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cc(F)ccc2C)CC1
InChIInChI=1S/C15H21FN2O/c1-11-3-4-14(16)9-13(11)10-17-15-5-7-18(8-6-15)12(2)19/h3-4,9,15,17H,5-8,10H2,1-2H3
InChIKeyFNXVMSSUKVTCLL-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932
1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 103943629
1-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 103948101
1-[4-[(4-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224288
4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide
CID 54902697
tert-butyl 3-[(5-fluoro-2-methylphenyl)methylamino]azetidine-1-carboxylate
CID 103944140
N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide
CID 105371388
1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 103792409
CID 140622429
CID 140622429
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124259

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone (CID 103943635) is 1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2cc(F)ccc2C)CC1.
What is the InChIKey of 1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is FNXVMSSUKVTCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11-3-4-14(16)9-13(11)10-17-15-5-7-18(8-6-15)12(2)19/h3-4,9,15,17H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 264.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 103943635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).