1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one

C16H23NO — CID 106899928

IUPAC1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one
SMILESCCc1ccc(CN2CCC(=O)C(C)C2C)cc1
InChIInChI=1S/C16H23NO/c1-4-14-5-7-15(8-6-14)11-17-10-9-16(18)12(2)13(17)3/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyRTTWXPHLNMKUGH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.05
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one

1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one (PubChem CID 106899928) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one
PubChem CID106899928
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one
SMILESCCc1ccc(CN2CCC(=O)C(C)C2C)cc1
InChIInChI=1S/C16H23NO/c1-4-14-5-7-15(8-6-14)11-17-10-9-16(18)12(2)13(17)3/h5-8,12-13H,4,9-11H2,1-3H3
InChIKeyRTTWXPHLNMKUGH-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 53444394
1-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406732
1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79398659
1-[(3-chlorophenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406157
2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one
CID 79398439
1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406431
1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one
CID 79396945
(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
CID 6553776
1-benzyl-2-ethylpyrrolidin-3-one
CID 83848143
1-[(4-ethylphenyl)methyl]piperidin-4-one
CID 11959577
2,3-dimethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-one
CID 106402142
2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one
CID 79406296

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one (CID 106899928) is 1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one is CCc1ccc(CN2CCC(=O)C(C)C2C)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one?
The InChIKey is RTTWXPHLNMKUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-14-5-7-15(8-6-14)11-17-10-9-16(18)12(2)13(17)3/h5-8,12-13H,4,9-11H2,1-3H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one?
1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one has a molecular weight of 245.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 106899928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).