1-hydroxy-3-prop-2-enyl-3-propylpiperidine

C11H21NO — CID 123202534

IUPAC1-hydroxy-3-prop-2-enyl-3-propylpiperidine
SMILESC=CCC1(CCC)CCCN(O)C1
InChIInChI=1S/C11H21NO/c1-3-6-11(7-4-2)8-5-9-12(13)10-11/h3,13H,1,4-10H2,2H3
InChIKeyCOMMHBVHPQZTRU-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.83
Rot. Bonds4

About 1-hydroxy-3-prop-2-enyl-3-propylpiperidine

1-hydroxy-3-prop-2-enyl-3-propylpiperidine (PubChem CID 123202534) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-hydroxy-3-prop-2-enyl-3-propylpiperidine.

Molecular Properties

Compound Name1-hydroxy-3-prop-2-enyl-3-propylpiperidine
PubChem CID123202534
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-hydroxy-3-prop-2-enyl-3-propylpiperidine
SMILESC=CCC1(CCC)CCCN(O)C1
InChIInChI=1S/C11H21NO/c1-3-6-11(7-4-2)8-5-9-12(13)10-11/h3,13H,1,4-10H2,2H3
InChIKeyCOMMHBVHPQZTRU-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hydroxy-3-prop-2-enyl-3-propylpiperidine 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-hydroxy-3-prop-2-enyl-3-propylpiperidine?
The IUPAC name of 1-hydroxy-3-prop-2-enyl-3-propylpiperidine (CID 123202534) is 1-hydroxy-3-prop-2-enyl-3-propylpiperidine.
What is the SMILES notation for 1-hydroxy-3-prop-2-enyl-3-propylpiperidine?
The canonical SMILES for 1-hydroxy-3-prop-2-enyl-3-propylpiperidine is C=CCC1(CCC)CCCN(O)C1.
What is the InChIKey of 1-hydroxy-3-prop-2-enyl-3-propylpiperidine?
The InChIKey is COMMHBVHPQZTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-6-11(7-4-2)8-5-9-12(13)10-11/h3,13H,1,4-10H2,2H3.
What are the key properties of 1-hydroxy-3-prop-2-enyl-3-propylpiperidine?
1-hydroxy-3-prop-2-enyl-3-propylpiperidine has a molecular weight of 183.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-prop-2-enyl-3-propylpiperidine is sourced from PubChem (CID 123202534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).