3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine

C11H21NO — CID 88978019

IUPAC3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine
SMILESC=CC(C)C1(CC)CCCN(O)C1
InChIInChI=1S/C11H21NO/c1-4-10(3)11(5-2)7-6-8-12(13)9-11/h4,10,13H,1,5-9H2,2-3H3
InChIKeyWQBDTTMCHJHUOL-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.69
Rot. Bonds3

About 3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine

3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine (PubChem CID 88978019) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine.

Molecular Properties

Compound Name3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine
PubChem CID88978019
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine
SMILESC=CC(C)C1(CC)CCCN(O)C1
InChIInChI=1S/C11H21NO/c1-4-10(3)11(5-2)7-6-8-12(13)9-11/h4,10,13H,1,5-9H2,2-3H3
InChIKeyWQBDTTMCHJHUOL-UHFFFAOYSA-N
XLogP2.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine 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 3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine?
The IUPAC name of 3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine (CID 88978019) is 3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine.
What is the SMILES notation for 3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine?
The canonical SMILES for 3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine is C=CC(C)C1(CC)CCCN(O)C1.
What is the InChIKey of 3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine?
The InChIKey is WQBDTTMCHJHUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-10(3)11(5-2)7-6-8-12(13)9-11/h4,10,13H,1,5-9H2,2-3H3.
What are the key properties of 3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine?
3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine has a molecular weight of 183.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yl-3-ethyl-1-hydroxypiperidine is sourced from PubChem (CID 88978019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).