1-benzyl-2,5-dimethylpiperidin-3-one

C14H19NO — CID 54593754

IUPAC1-benzyl-2,5-dimethylpiperidin-3-one
SMILESCC1CC(=O)C(C)N(Cc2ccccc2)C1
InChIInChI=1S/C14H19NO/c1-11-8-14(16)12(2)15(9-11)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyFABAJOBMSRCVJN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.49
Rot. Bonds2

About 1-benzyl-2,5-dimethylpiperidin-3-one

1-benzyl-2,5-dimethylpiperidin-3-one (PubChem CID 54593754) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethylpiperidin-3-one.

Molecular Properties

Compound Name1-benzyl-2,5-dimethylpiperidin-3-one
PubChem CID54593754
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-benzyl-2,5-dimethylpiperidin-3-one
SMILESCC1CC(=O)C(C)N(Cc2ccccc2)C1
InChIInChI=1S/C14H19NO/c1-11-8-14(16)12(2)15(9-11)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKeyFABAJOBMSRCVJN-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-benzyl-2-methyl-4-phenylpyrrolidin-3-one
CID 174765027
(5R,6S)-1-benzyl-5,6-dimethylpiperidin-3-one
CID 124709041
1-benzyl-2,5-dimethylpiperidine
CID 73200484
(4S,5R,6S)-1-benzyl-4,5,6-trimethylpiperidin-3-one
CID 99723982
(4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one
CID 95242128
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
1-(1-benzyl-5-methylpiperidin-2-yl)propan-1-ol
CID 146513963
(3S)-4-benzyl-3-methylpiperazin-2-one
CID 129362839
1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 53444394
(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
CID 56828035

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethylpiperidin-3-one?
The IUPAC name of 1-benzyl-2,5-dimethylpiperidin-3-one (CID 54593754) is 1-benzyl-2,5-dimethylpiperidin-3-one.
What is the SMILES notation for 1-benzyl-2,5-dimethylpiperidin-3-one?
The canonical SMILES for 1-benzyl-2,5-dimethylpiperidin-3-one is CC1CC(=O)C(C)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-2,5-dimethylpiperidin-3-one?
The InChIKey is FABAJOBMSRCVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-8-14(16)12(2)15(9-11)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of 1-benzyl-2,5-dimethylpiperidin-3-one?
1-benzyl-2,5-dimethylpiperidin-3-one has a molecular weight of 217.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dimethylpiperidin-3-one is sourced from PubChem (CID 54593754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).