2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one

C16H24N2O — CID 78786454

IUPAC2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N(C)Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-14(16(19)18-11-7-4-8-12-18)17(2)13-15-9-5-3-6-10-15/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3
InChIKeyLBIJQWYUXJDHIX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds4

About 2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one

2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 78786454) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID78786454
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N(C)Cc1ccccc1
InChIInChI=1S/C16H24N2O/c1-14(16(19)18-11-7-4-8-12-18)17(2)13-15-9-5-3-6-10-15/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3
InChIKeyLBIJQWYUXJDHIX-UHFFFAOYSA-N
XLogP2.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(4-methylphenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 78786460
2-[[(4R)-1-[(2S)-2-[benzyl(methyl)amino]propanoyl]azepan-4-yl]-methylamino]acetic acid
CID 129476372
2-[(4-ethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 78786280
(2R)-2-[benzyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 32727669
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[benzyl(methyl)amino]propan-1-one
CID 9274787
(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 40954300
(2S)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 124506995
2-[3-aminopropyl(benzyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 107367919
4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-methylamino]butanoic acid
CID 55005650
(2S)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 51922677
(2R)-2-[benzyl(methyl)amino]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 15351860
2-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119913340

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one (CID 78786454) is 2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)N(C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is LBIJQWYUXJDHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-14(16(19)18-11-7-4-8-12-18)17(2)13-15-9-5-3-6-10-15/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3.
What are the key properties of 2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one?
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 78786454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).