2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one

C16H23NO — CID 43227828

IUPAC2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one
SMILESCC1CC(C)CN(C(C)C(=O)c2ccccc2)C1
InChIInChI=1S/C16H23NO/c1-12-9-13(2)11-17(10-12)14(3)16(18)15-7-5-4-6-8-15/h4-8,12-14H,9-11H2,1-3H3
InChIKeyFVSDIZIFFLFTEW-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.24
Rot. Bonds3

About 2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one

2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one (PubChem CID 43227828) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one
PubChem CID43227828
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one
SMILESCC1CC(C)CN(C(C)C(=O)c2ccccc2)C1
InChIInChI=1S/C16H23NO/c1-12-9-13(2)11-17(10-12)14(3)16(18)15-7-5-4-6-8-15/h4-8,12-14H,9-11H2,1-3H3
InChIKeyFVSDIZIFFLFTEW-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 43227858
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
2-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 63622992
2-(3,5-dimethylpiperidin-1-yl)propanoic acid
CID 20985542
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103498907
2-(1-oxo-1-phenylpropan-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82864087
2-(4-aminopiperidin-1-yl)-1-phenylpropan-1-one
CID 62031296
1-phenyl-2-thiomorpholin-4-ylpropan-1-one
CID 60863276
1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 82102458
2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 102960458
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-phenylpropan-1-one
CID 79174234

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one (CID 43227828) is 2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one is CC1CC(C)CN(C(C)C(=O)c2ccccc2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one?
The InChIKey is FVSDIZIFFLFTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-9-13(2)11-17(10-12)14(3)16(18)15-7-5-4-6-8-15/h4-8,12-14H,9-11H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one?
2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one has a molecular weight of 245.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 43227828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).