1-benzyl-2,2-dimethylpiperidin-4-one

C14H19NO — CID 4070912

IUPAC1-benzyl-2,2-dimethylpiperidin-4-one
SMILESCC1(C)CC(=O)CCN1Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-14(2)10-13(16)8-9-15(14)11-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyQXCCSKIRCJMSMM-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.63
Rot. Bonds2

About 1-benzyl-2,2-dimethylpiperidin-4-one

1-benzyl-2,2-dimethylpiperidin-4-one (PubChem CID 4070912) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-benzyl-2,2-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-benzyl-2,2-dimethylpiperidin-4-one
PubChem CID4070912
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-benzyl-2,2-dimethylpiperidin-4-one
SMILESCC1(C)CC(=O)CCN1Cc1ccccc1
InChIInChI=1S/C14H19NO/c1-14(2)10-13(16)8-9-15(14)11-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKeyQXCCSKIRCJMSMM-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
ethyl (2Z)-2-(1-benzyl-2,2-dimethylpiperidin-4-ylidene)acetate
CID 154941304
1,3-dibenzyl-2,2-dimethylpiperidin-4-one
CID 146657823
1-benzylpiperidin-4-one;butane
CID 70571840
1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one
CID 159724836
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111
2-(1-benzyl-6,6-dimethyl-2,5-dihydropyridin-4-yl)acetaldehyde
CID 57236405
1-benzyl-N,2,2-trimethylpiperidin-4-amine
CID 117020178
(6R)-1-benzyl-1-azaspiro[5.5]undecan-11-one
CID 14866444
(1R,5S)-2-benzyl-1-methyl-2-azabicyclo[3.1.0]hexane
CID 101450566
1-benzyl-3-bromo-2,2-dimethylpyrrolidine
CID 130979463
2-(4-benzyl-3,3-dimethylpiperazin-1-yl)propanoic acid
CID 119135339

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,2-dimethylpiperidin-4-one?
The IUPAC name of 1-benzyl-2,2-dimethylpiperidin-4-one (CID 4070912) is 1-benzyl-2,2-dimethylpiperidin-4-one.
What is the SMILES notation for 1-benzyl-2,2-dimethylpiperidin-4-one?
The canonical SMILES for 1-benzyl-2,2-dimethylpiperidin-4-one is CC1(C)CC(=O)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,2-dimethylpiperidin-4-one?
The InChIKey is QXCCSKIRCJMSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2)10-13(16)8-9-15(14)11-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3.
What are the key properties of 1-benzyl-2,2-dimethylpiperidin-4-one?
1-benzyl-2,2-dimethylpiperidin-4-one has a molecular weight of 217.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,2-dimethylpiperidin-4-one is sourced from PubChem (CID 4070912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).