1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one

C17H26N2O — CID 79196158

IUPAC1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-14(13-18-2)17(20)19-10-8-16(9-11-19)12-15-6-4-3-5-7-15/h3-7,14,16,18H,8-13H2,1-2H3
InChIKeyDXPRSDSUTUGYKM-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.32
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one

1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 79196158) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID79196158
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-14(13-18-2)17(20)19-10-8-16(9-11-19)12-15-6-4-3-5-7-15/h3-7,14,16,18H,8-13H2,1-2H3
InChIKeyDXPRSDSUTUGYKM-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(methylamino)-1-[4-(phenoxymethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119751564
1-(4-benzoylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 119699755
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
(2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one
CID 92757331
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
(2R)-1-(4-benzylpiperidin-1-yl)-2-phenylsulfanylpropan-1-one
CID 2575053
2-(4-benzylpiperidin-1-yl)-N-methylpropan-1-amine
CID 62418483
N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348046
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
(2S)-2-(benzylamino)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-1-one
CID 67385330
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 79195732

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one (CID 79196158) is 1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is DXPRSDSUTUGYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(13-18-2)17(20)19-10-8-16(9-11-19)12-15-6-4-3-5-7-15/h3-7,14,16,18H,8-13H2,1-2H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one?
1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 79196158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).