(5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one

C15H18ClNO2 — CID 175658366

IUPAC(5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one
SMILESO=C1CC[C@H](O)[C@@H](c2ccc(Cl)cc2)N1CC1CC1
InChIInChI=1S/C15H18ClNO2/c16-12-5-3-11(4-6-12)15-13(18)7-8-14(19)17(15)9-10-1-2-10/h3-6,10,13,15,18H,1-2,7-9H2/t13-,15+/m0/s1
InChIKeyNYPOXGNAKNZWAL-DZGCQCFKSA-N
MW279.77 g/mol
LogP2.77
Rot. Bonds3

About (5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one

(5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one (PubChem CID 175658366) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is (5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one
PubChem CID175658366
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name(5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one
SMILESO=C1CC[C@H](O)[C@@H](c2ccc(Cl)cc2)N1CC1CC1
InChIInChI=1S/C15H18ClNO2/c16-12-5-3-11(4-6-12)15-13(18)7-8-14(19)17(15)9-10-1-2-10/h3-6,10,13,15,18H,1-2,7-9H2/t13-,15+/m0/s1
InChIKeyNYPOXGNAKNZWAL-DZGCQCFKSA-N
XLogP2.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one?
The IUPAC name of (5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one (CID 175658366) is (5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one.
What is the SMILES notation for (5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one?
The canonical SMILES for (5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one is O=C1CC[C@H](O)[C@@H](c2ccc(Cl)cc2)N1CC1CC1.
What is the InChIKey of (5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one?
The InChIKey is NYPOXGNAKNZWAL-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-12-5-3-11(4-6-12)15-13(18)7-8-14(19)17(15)9-10-1-2-10/h3-6,10,13,15,18H,1-2,7-9H2/t13-,15+/m0/s1.
What are the key properties of (5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one?
(5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one has a molecular weight of 279.77 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one is sourced from PubChem (CID 175658366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).