(3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one

C15H20ClNO — CID 157302692

IUPAC(3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one
SMILESCCN1C(=O)[C@@H](C)C[C@@H](c2ccccc2Cl)[C@H]1C
InChIInChI=1S/C15H20ClNO/c1-4-17-11(3)13(9-10(2)15(17)18)12-7-5-6-8-14(12)16/h5-8,10-11,13H,4,9H2,1-3H3/t10-,11+,13+/m0/s1
InChIKeyWDTASFDVQOCRGX-DMDPSCGWSA-N
MW265.78 g/mol
LogP3.70
Rot. Bonds2

About (3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one

(3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one (PubChem CID 157302692) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is (3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one.

Molecular Properties

Compound Name(3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one
PubChem CID157302692
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name(3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one
SMILESCCN1C(=O)[C@@H](C)C[C@@H](c2ccccc2Cl)[C@H]1C
InChIInChI=1S/C15H20ClNO/c1-4-17-11(3)13(9-10(2)15(17)18)12-7-5-6-8-14(12)16/h5-8,10-11,13H,4,9H2,1-3H3/t10-,11+,13+/m0/s1
InChIKeyWDTASFDVQOCRGX-DMDPSCGWSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one?
The IUPAC name of (3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one (CID 157302692) is (3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one.
What is the SMILES notation for (3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one?
The canonical SMILES for (3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one is CCN1C(=O)[C@@H](C)C[C@@H](c2ccccc2Cl)[C@H]1C.
What is the InChIKey of (3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one?
The InChIKey is WDTASFDVQOCRGX-DMDPSCGWSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-4-17-11(3)13(9-10(2)15(17)18)12-7-5-6-8-14(12)16/h5-8,10-11,13H,4,9H2,1-3H3/t10-,11+,13+/m0/s1.
What are the key properties of (3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one?
(3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one has a molecular weight of 265.78 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,6R)-5-(2-chlorophenyl)-1-ethyl-3,6-dimethylpiperidin-2-one is sourced from PubChem (CID 157302692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).