(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one

C14H19NO — CID 56828035

IUPAC(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1=O
InChIInChI=1S/C14H19NO/c1-11-8-15(9-12(2)14(11)16)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyKUUYMZATYJQLLZ-VXGBXAGGSA-N
MW217.31 g/mol
LogP2.34
Rot. Bonds2

About (3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one

(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one (PubChem CID 56828035) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one.

Molecular Properties

Compound Name(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
PubChem CID56828035
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1=O
InChIInChI=1S/C14H19NO/c1-11-8-15(9-12(2)14(11)16)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyKUUYMZATYJQLLZ-VXGBXAGGSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-methyl-5-phenacylpiperidin-4-one
CID 21498288
1-benzyl-3-methylpiperidin-4-one
CID 560965
3-benzyl-3-azabicyclo[3.1.1]heptan-6-one
CID 47003605
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(1R,5S)-3-benzyl-3-azabicyclo[3.3.1]nonan-9-one
CID 10036798
(3R,5R)-1-benzyl-4-bromo-3,5-dimethylpiperidine
CID 97176892
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
3-benzyl-7-butyl-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 165353165
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
1-benzyl-3-bromo-4-methylpyrrolidine
CID 127008953
(4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-one
CID 95242083

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one?
The IUPAC name of (3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one (CID 56828035) is (3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one.
What is the SMILES notation for (3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one?
The canonical SMILES for (3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one is C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1=O.
What is the InChIKey of (3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one?
The InChIKey is KUUYMZATYJQLLZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-8-15(9-12(2)14(11)16)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one?
(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one has a molecular weight of 217.31 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one is sourced from PubChem (CID 56828035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).