4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine

C13H21N — CID 89363927

IUPAC4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine
SMILESC=C(/C=C\C=C/C)C1CCN(C)CC1
InChIInChI=1S/C13H21N/c1-4-5-6-7-12(2)13-8-10-14(3)11-9-13/h4-7,13H,2,8-11H2,1,3H3/b5-4-,7-6-
InChIKeyZKBJOAUFJIESHU-RZSVFLSASA-N
MW191.32 g/mol
LogP3.02
Rot. Bonds3

About 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine

4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine (PubChem CID 89363927) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine
PubChem CID89363927
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine
SMILESC=C(/C=C\C=C/C)C1CCN(C)CC1
InChIInChI=1S/C13H21N/c1-4-5-6-7-12(2)13-8-10-14(3)11-9-13/h4-7,13H,2,8-11H2,1,3H3/b5-4-,7-6-
InChIKeyZKBJOAUFJIESHU-RZSVFLSASA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine 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 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine?
The IUPAC name of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine (CID 89363927) is 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine is C=C(/C=C\C=C/C)C1CCN(C)CC1.
What is the InChIKey of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine?
The InChIKey is ZKBJOAUFJIESHU-RZSVFLSASA-N. The full InChI is InChI=1S/C13H21N/c1-4-5-6-7-12(2)13-8-10-14(3)11-9-13/h4-7,13H,2,8-11H2,1,3H3/b5-4-,7-6-.
What are the key properties of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine?
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine has a molecular weight of 191.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine is sourced from PubChem (CID 89363927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).