(4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one

C14H19NO — CID 95242128

IUPAC(4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one
SMILESC[C@H]1C[C@H](C)N(Cc2ccccc2)CC1=O
InChIInChI=1S/C14H19NO/c1-11-8-12(2)15(10-14(11)16)9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyLLKQSLKJBCYCMG-RYUDHWBXSA-N
MW217.31 g/mol
LogP2.49
Rot. Bonds2

About (4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one

(4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one (PubChem CID 95242128) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one.

Molecular Properties

Compound Name(4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one
PubChem CID95242128
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one
SMILESC[C@H]1C[C@H](C)N(Cc2ccccc2)CC1=O
InChIInChI=1S/C14H19NO/c1-11-8-12(2)15(10-14(11)16)9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyLLKQSLKJBCYCMG-RYUDHWBXSA-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,5R,6S)-1-benzyl-4,5,6-trimethylpiperidin-3-one
CID 99723982
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
1-benzyl-4-ethyl-6-phenylpiperidin-3-one
CID 170718651
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371
(2R,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 131036325
1-benzyl-2-methylimidazolidin-4-one
CID 138110115
(5R,6S)-1-benzyl-5,6-dimethylpiperidin-3-one
CID 124709041
1-benzyl-2,5-dimethylpiperidin-3-one
CID 54593754
1-benzyl-4-methylazetidine-2-carbaldehyde
CID 59908727
1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 53444394

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one?
The IUPAC name of (4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one (CID 95242128) is (4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one.
What is the SMILES notation for (4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one?
The canonical SMILES for (4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one is C[C@H]1C[C@H](C)N(Cc2ccccc2)CC1=O.
What is the InChIKey of (4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one?
The InChIKey is LLKQSLKJBCYCMG-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-8-12(2)15(10-14(11)16)9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one?
(4S,6S)-1-benzyl-4,6-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 (4S,6S)-1-benzyl-4,6-dimethylpiperidin-3-one is sourced from PubChem (CID 95242128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).