2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride

C11H20ClN — CID 17384877

IUPAC2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride
SMILESC=CCC1(/C=C/C)CCCCN1.Cl
InChIInChI=1S/C11H19N.ClH/c1-3-7-11(8-4-2)9-5-6-10-12-11;/h3-4,8,12H,1,5-7,9-10H2,2H3;1H/b8-4+;
InChIKeyTYZICVJYICDPIO-ZFXMFRGYSA-N
MW201.74 g/mol
LogP3.07
Rot. Bonds3

About 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride

2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride (PubChem CID 17384877) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride
PubChem CID17384877
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride
SMILESC=CCC1(/C=C/C)CCCCN1.Cl
InChIInChI=1S/C11H19N.ClH/c1-3-7-11(8-4-2)9-5-6-10-12-11;/h3-4,8,12H,1,5-7,9-10H2,2H3;1H/b8-4+;
InChIKeyTYZICVJYICDPIO-ZFXMFRGYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride 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 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride?
The IUPAC name of 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride (CID 17384877) is 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride.
What is the SMILES notation for 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride?
The canonical SMILES for 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride is C=CCC1(/C=C/C)CCCCN1.Cl.
What is the InChIKey of 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride?
The InChIKey is TYZICVJYICDPIO-ZFXMFRGYSA-N. The full InChI is InChI=1S/C11H19N.ClH/c1-3-7-11(8-4-2)9-5-6-10-12-11;/h3-4,8,12H,1,5-7,9-10H2,2H3;1H/b8-4+;.
What are the key properties of 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride?
2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride has a molecular weight of 201.74 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]-2-prop-2-enylpiperidine;hydrochloride is sourced from PubChem (CID 17384877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).