(4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone

C13H23NO2 — CID 79005572

IUPAC(4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C13H23NO2/c1-10-2-4-11(5-3-10)13(16)14-8-6-12(15)7-9-14/h10-12,15H,2-9H2,1H3
InChIKeyGLNIOLGSVFPDCJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.80
Rot. Bonds1

About (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone

(4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone (PubChem CID 79005572) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone
PubChem CID79005572
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCC(O)CC2)CC1
InChIInChI=1S/C13H23NO2/c1-10-2-4-11(5-3-10)13(16)14-8-6-12(15)7-9-14/h10-12,15H,2-9H2,1H3
InChIKeyGLNIOLGSVFPDCJ-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone (CID 79005572) is (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)N2CCC(O)CC2)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone?
The InChIKey is GLNIOLGSVFPDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-2-4-11(5-3-10)13(16)14-8-6-12(15)7-9-14/h10-12,15H,2-9H2,1H3.
What are the key properties of (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone?
(4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone has a molecular weight of 225.33 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 79005572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).