cyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol

C18H34N2O3 — CID 161415382

IUPACcyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol
SMILESO=C1CCC1.OC1CCN(C2CCC2)CC1.OC1CCNCC1
InChIInChI=1S/C9H17NO.C5H11NO.C4H6O/c11-9-4-6-10(7-5-9)8-2-1-3-8;7-5-1-3-6-4-2-5;5-4-2-1-3-4/h8-9,11H,1-7H2;5-7H,1-4H2;1-3H2
InChIKeyVWACAAGEQJEYII-UHFFFAOYSA-N
MW326.48 g/mol
LogP1.47
Rot. Bonds1

About cyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol

cyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol (PubChem CID 161415382) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is cyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol.

Molecular Properties

Compound Namecyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol
PubChem CID161415382
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Namecyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol
SMILESO=C1CCC1.OC1CCN(C2CCC2)CC1.OC1CCNCC1
InChIInChI=1S/C9H17NO.C5H11NO.C4H6O/c11-9-4-6-10(7-5-9)8-2-1-3-8;7-5-1-3-6-4-2-5;5-4-2-1-3-4/h8-9,11H,1-7H2;5-7H,1-4H2;1-3H2
InChIKeyVWACAAGEQJEYII-UHFFFAOYSA-N
XLogP1.47
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol?
The IUPAC name of cyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol (CID 161415382) is cyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol.
What is the SMILES notation for cyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol?
The canonical SMILES for cyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol is O=C1CCC1.OC1CCN(C2CCC2)CC1.OC1CCNCC1.
What is the InChIKey of cyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol?
The InChIKey is VWACAAGEQJEYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C5H11NO.C4H6O/c11-9-4-6-10(7-5-9)8-2-1-3-8;7-5-1-3-6-4-2-5;5-4-2-1-3-4/h8-9,11H,1-7H2;5-7H,1-4H2;1-3H2.
What are the key properties of cyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol?
cyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol has a molecular weight of 326.48 g/mol, XLogP of 1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanone;1-cyclobutylpiperidin-4-ol;piperidin-4-ol is sourced from PubChem (CID 161415382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).