3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one

C13H23NO2 — CID 106836593

IUPAC3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one
SMILESCC(O)C1CCN(C2CCCC(=O)C2)CC1
InChIInChI=1S/C13H23NO2/c1-10(15)11-5-7-14(8-6-11)12-3-2-4-13(16)9-12/h10-12,15H,2-9H2,1H3
InChIKeyNGTYFEKYCCGJKT-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.59
Rot. Bonds2

About 3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one

3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one (PubChem CID 106836593) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one
PubChem CID106836593
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one
SMILESCC(O)C1CCN(C2CCCC(=O)C2)CC1
InChIInChI=1S/C13H23NO2/c1-10(15)11-5-7-14(8-6-11)12-3-2-4-13(16)9-12/h10-12,15H,2-9H2,1H3
InChIKeyNGTYFEKYCCGJKT-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one?
The IUPAC name of 3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one (CID 106836593) is 3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one.
What is the SMILES notation for 3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one?
The canonical SMILES for 3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one is CC(O)C1CCN(C2CCCC(=O)C2)CC1.
What is the InChIKey of 3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one?
The InChIKey is NGTYFEKYCCGJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(15)11-5-7-14(8-6-11)12-3-2-4-13(16)9-12/h10-12,15H,2-9H2,1H3.
What are the key properties of 3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one?
3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxyethyl)piperidin-1-yl]cyclohexan-1-one is sourced from PubChem (CID 106836593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).