2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one

C16H23NO — CID 110355924

IUPAC2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCC1CCCN(C(=O)C(C)Cc2ccccc2)C1
InChIInChI=1S/C16H23NO/c1-13-7-6-10-17(12-13)16(18)14(2)11-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3
InChIKeyDKJJKAQGPFQURU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.12
Rot. Bonds3

About 2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one

2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one (PubChem CID 110355924) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
PubChem CID110355924
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
SMILESCC1CCCN(C(=O)C(C)Cc2ccccc2)C1
InChIInChI=1S/C16H23NO/c1-13-7-6-10-17(12-13)16(18)14(2)11-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3
InChIKeyDKJJKAQGPFQURU-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone
CID 1292213
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
3-(3-methylpiperidin-1-yl)-1-phenylbut-3-en-2-amine
CID 167075215
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide
CID 60547159
(3S)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-[(2S)-2-methylbutanoyl]piperidine-3-carboxamide
CID 100880125
N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide
CID 86880551
1-(3-aminopiperidin-1-yl)-2-benzyl-3-methylbutan-1-one;hydrochloride
CID 119378254
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
N-[1-[3-(methylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide;hydrochloride
CID 119488269
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of 2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one (CID 110355924) is 2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for 2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one is CC1CCCN(C(=O)C(C)Cc2ccccc2)C1.
What is the InChIKey of 2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one?
The InChIKey is DKJJKAQGPFQURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-7-6-10-17(12-13)16(18)14(2)11-15-8-4-3-5-9-15/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3.
What are the key properties of 2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one?
2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 110355924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).