(5S,6R)-6-methyl-5-phenylpiperidin-2-one

C12H15NO — CID 134491126

IUPAC(5S,6R)-6-methyl-5-phenylpiperidin-2-one
SMILESC[C@H]1NC(=O)CC[C@H]1c1ccccc1
InChIInChI=1S/C12H15NO/c1-9-11(7-8-12(14)13-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14)/t9-,11-/m1/s1
InChIKeyIOEJKSTZQDNGGZ-MWLCHTKSSA-N
MW189.26 g/mol
LogP2.07
Rot. Bonds1

About (5S,6R)-6-methyl-5-phenylpiperidin-2-one

(5S,6R)-6-methyl-5-phenylpiperidin-2-one (PubChem CID 134491126) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (5S,6R)-6-methyl-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-6-methyl-5-phenylpiperidin-2-one
PubChem CID134491126
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(5S,6R)-6-methyl-5-phenylpiperidin-2-one
SMILESC[C@H]1NC(=O)CC[C@H]1c1ccccc1
InChIInChI=1S/C12H15NO/c1-9-11(7-8-12(14)13-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14)/t9-,11-/m1/s1
InChIKeyIOEJKSTZQDNGGZ-MWLCHTKSSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-methyl-5-phenylpiperidin-2-one?
The IUPAC name of (5S,6R)-6-methyl-5-phenylpiperidin-2-one (CID 134491126) is (5S,6R)-6-methyl-5-phenylpiperidin-2-one.
What is the SMILES notation for (5S,6R)-6-methyl-5-phenylpiperidin-2-one?
The canonical SMILES for (5S,6R)-6-methyl-5-phenylpiperidin-2-one is C[C@H]1NC(=O)CC[C@H]1c1ccccc1.
What is the InChIKey of (5S,6R)-6-methyl-5-phenylpiperidin-2-one?
The InChIKey is IOEJKSTZQDNGGZ-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-11(7-8-12(14)13-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14)/t9-,11-/m1/s1.
What are the key properties of (5S,6R)-6-methyl-5-phenylpiperidin-2-one?
(5S,6R)-6-methyl-5-phenylpiperidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-methyl-5-phenylpiperidin-2-one is sourced from PubChem (CID 134491126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).