(6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one

C12H14ClNO — CID 70165727

IUPAC(6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one
SMILESC[C@@H]1CC(=O)CC(c2cccc(Cl)c2)N1
InChIInChI=1S/C12H14ClNO/c1-8-5-11(15)7-12(14-8)9-3-2-4-10(13)6-9/h2-4,6,8,12,14H,5,7H2,1H3/t8-,12?/m1/s1
InChIKeyYKHDOFQGDPKTTP-SZSXPDSJSA-N
MW223.70 g/mol
LogP2.72
Rot. Bonds1

About (6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one

(6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one (PubChem CID 70165727) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one.

Molecular Properties

Compound Name(6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one
PubChem CID70165727
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one
SMILESC[C@@H]1CC(=O)CC(c2cccc(Cl)c2)N1
InChIInChI=1S/C12H14ClNO/c1-8-5-11(15)7-12(14-8)9-3-2-4-10(13)6-9/h2-4,6,8,12,14H,5,7H2,1H3/t8-,12?/m1/s1
InChIKeyYKHDOFQGDPKTTP-SZSXPDSJSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one?
The IUPAC name of (6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one (CID 70165727) is (6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one.
What is the SMILES notation for (6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one?
The canonical SMILES for (6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one is C[C@@H]1CC(=O)CC(c2cccc(Cl)c2)N1.
What is the InChIKey of (6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one?
The InChIKey is YKHDOFQGDPKTTP-SZSXPDSJSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-8-5-11(15)7-12(14-8)9-3-2-4-10(13)6-9/h2-4,6,8,12,14H,5,7H2,1H3/t8-,12?/m1/s1.
What are the key properties of (6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one?
(6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one has a molecular weight of 223.70 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(3-chlorophenyl)-6-methylpiperidin-4-one is sourced from PubChem (CID 70165727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).