1-but-3-en-2-yl-4-methylpiperidin-4-ol

C10H19NO — CID 80702409

IUPAC1-but-3-en-2-yl-4-methylpiperidin-4-ol
SMILESC=CC(C)N1CCC(C)(O)CC1
InChIInChI=1S/C10H19NO/c1-4-9(2)11-7-5-10(3,12)6-8-11/h4,9,12H,1,5-8H2,2-3H3
InChIKeyDSQGQAWDKULBOW-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds2

About 1-but-3-en-2-yl-4-methylpiperidin-4-ol

1-but-3-en-2-yl-4-methylpiperidin-4-ol (PubChem CID 80702409) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-but-3-en-2-yl-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-but-3-en-2-yl-4-methylpiperidin-4-ol
PubChem CID80702409
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-but-3-en-2-yl-4-methylpiperidin-4-ol
SMILESC=CC(C)N1CCC(C)(O)CC1
InChIInChI=1S/C10H19NO/c1-4-9(2)11-7-5-10(3,12)6-8-11/h4,9,12H,1,5-8H2,2-3H3
InChIKeyDSQGQAWDKULBOW-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-but-3-en-2-yl-4-methylpiperidin-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 1-but-3-en-2-yl-4-methylpiperidin-4-ol?
The IUPAC name of 1-but-3-en-2-yl-4-methylpiperidin-4-ol (CID 80702409) is 1-but-3-en-2-yl-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-but-3-en-2-yl-4-methylpiperidin-4-ol?
The canonical SMILES for 1-but-3-en-2-yl-4-methylpiperidin-4-ol is C=CC(C)N1CCC(C)(O)CC1.
What is the InChIKey of 1-but-3-en-2-yl-4-methylpiperidin-4-ol?
The InChIKey is DSQGQAWDKULBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9(2)11-7-5-10(3,12)6-8-11/h4,9,12H,1,5-8H2,2-3H3.
What are the key properties of 1-but-3-en-2-yl-4-methylpiperidin-4-ol?
1-but-3-en-2-yl-4-methylpiperidin-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-4-methylpiperidin-4-ol is sourced from PubChem (CID 80702409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).