2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one

C16H23NO — CID 104591595

IUPAC2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one
SMILESCC(CN1CCC(=O)C(C)C1C)c1ccccc1
InChIInChI=1S/C16H23NO/c1-12(15-7-5-4-6-8-15)11-17-10-9-16(18)13(2)14(17)3/h4-8,12-14H,9-11H2,1-3H3
InChIKeyZRABILJMQMGFFD-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.09
Rot. Bonds3

About 2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one

2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one (PubChem CID 104591595) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one
PubChem CID104591595
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one
SMILESCC(CN1CCC(=O)C(C)C1C)c1ccccc1
InChIInChI=1S/C16H23NO/c1-12(15-7-5-4-6-8-15)11-17-10-9-16(18)13(2)14(17)3/h4-8,12-14H,9-11H2,1-3H3
InChIKeyZRABILJMQMGFFD-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 53444394
(2S)-2-methyl-1-[(2R)-2-phenylpropyl]piperazine
CID 96906178
1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 106899928
2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one
CID 115325870
(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
CID 6553776
(2S)-2-methyl-1-(2-phenylpropyl)piperazine;hydrochloride
CID 120839154
1-(2-phenylpropyl)piperidine-2,4-dione
CID 104591585
2-[1-(2-phenylpropyl)pyrrolidin-2-yl]acetic acid
CID 65067815
1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79398659
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592
1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one
CID 79396945
3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591599

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one?
The IUPAC name of 2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one (CID 104591595) is 2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one.
What is the SMILES notation for 2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one?
The canonical SMILES for 2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one is CC(CN1CCC(=O)C(C)C1C)c1ccccc1.
What is the InChIKey of 2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one?
The InChIKey is ZRABILJMQMGFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(15-7-5-4-6-8-15)11-17-10-9-16(18)13(2)14(17)3/h4-8,12-14H,9-11H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one?
2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one has a molecular weight of 245.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one is sourced from PubChem (CID 104591595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).