4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one

C11H19NO2 — CID 112554217

IUPAC4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one
SMILESO=C1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C11H19NO2/c13-10-3-1-9(2-4-10)12-7-5-11(14)6-8-12/h9,11,14H,1-8H2
InChIKeyHWGPWPKEVMLIAY-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.95
Rot. Bonds1

About 4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one

4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one (PubChem CID 112554217) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one
PubChem CID112554217
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one
SMILESO=C1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C11H19NO2/c13-10-3-1-9(2-4-10)12-7-5-11(14)6-8-12/h9,11,14H,1-8H2
InChIKeyHWGPWPKEVMLIAY-UHFFFAOYSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one (CID 112554217) is 4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one is O=C1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one?
The InChIKey is HWGPWPKEVMLIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c13-10-3-1-9(2-4-10)12-7-5-11(14)6-8-12/h9,11,14H,1-8H2.
What are the key properties of 4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one?
4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one has a molecular weight of 197.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 112554217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).