(6S)-5,5-dimethyl-6-phenylpiperidin-2-one

C13H17NO — CID 138970238

IUPAC(6S)-5,5-dimethyl-6-phenylpiperidin-2-one
SMILESCC1(C)CCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C13H17NO/c1-13(2)9-8-11(15)14-12(13)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeyXJHRZRYWCDMLNL-GFCCVEGCSA-N
MW203.29 g/mol
LogP2.66
Rot. Bonds1

About (6S)-5,5-dimethyl-6-phenylpiperidin-2-one

(6S)-5,5-dimethyl-6-phenylpiperidin-2-one (PubChem CID 138970238) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (6S)-5,5-dimethyl-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name(6S)-5,5-dimethyl-6-phenylpiperidin-2-one
PubChem CID138970238
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(6S)-5,5-dimethyl-6-phenylpiperidin-2-one
SMILESCC1(C)CCC(=O)N[C@@H]1c1ccccc1
InChIInChI=1S/C13H17NO/c1-13(2)9-8-11(15)14-12(13)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeyXJHRZRYWCDMLNL-GFCCVEGCSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S)-5,5-dimethyl-6-phenylpiperidin-2-one?
The IUPAC name of (6S)-5,5-dimethyl-6-phenylpiperidin-2-one (CID 138970238) is (6S)-5,5-dimethyl-6-phenylpiperidin-2-one.
What is the SMILES notation for (6S)-5,5-dimethyl-6-phenylpiperidin-2-one?
The canonical SMILES for (6S)-5,5-dimethyl-6-phenylpiperidin-2-one is CC1(C)CCC(=O)N[C@@H]1c1ccccc1.
What is the InChIKey of (6S)-5,5-dimethyl-6-phenylpiperidin-2-one?
The InChIKey is XJHRZRYWCDMLNL-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2)9-8-11(15)14-12(13)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,14,15)/t12-/m1/s1.
What are the key properties of (6S)-5,5-dimethyl-6-phenylpiperidin-2-one?
(6S)-5,5-dimethyl-6-phenylpiperidin-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5,5-dimethyl-6-phenylpiperidin-2-one is sourced from PubChem (CID 138970238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).