6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one

C15H27NO2 — CID 19751082

IUPAC6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CC(O)C(CC2CCCCC2)NC1=O
InChIInChI=1S/C15H27NO2/c1-10(2)12-9-14(17)13(16-15(12)18)8-11-6-4-3-5-7-11/h10-14,17H,3-9H2,1-2H3,(H,16,18)
InChIKeyGPMHFJBBJGSVTP-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.48
Rot. Bonds3

About 6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one

6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one (PubChem CID 19751082) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one
PubChem CID19751082
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one
SMILESCC(C)C1CC(O)C(CC2CCCCC2)NC1=O
InChIInChI=1S/C15H27NO2/c1-10(2)12-9-14(17)13(16-15(12)18)8-11-6-4-3-5-7-11/h10-14,17H,3-9H2,1-2H3,(H,16,18)
InChIKeyGPMHFJBBJGSVTP-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one?
The IUPAC name of 6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one (CID 19751082) is 6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one?
The canonical SMILES for 6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one is CC(C)C1CC(O)C(CC2CCCCC2)NC1=O.
What is the InChIKey of 6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one?
The InChIKey is GPMHFJBBJGSVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-10(2)12-9-14(17)13(16-15(12)18)8-11-6-4-3-5-7-11/h10-14,17H,3-9H2,1-2H3,(H,16,18).
What are the key properties of 6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one?
6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one has a molecular weight of 253.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylmethyl)-5-hydroxy-3-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 19751082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).