4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine

C16H27NO — CID 156794924

IUPAC4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine
SMILESC=C/C=C(\C=C/C)C1(OC)CCN(C(C)C)CC1
InChIInChI=1S/C16H27NO/c1-6-8-15(9-7-2)16(18-5)10-12-17(13-11-16)14(3)4/h6-9,14H,1,10-13H2,2-5H3/b9-7-,15-8+
InChIKeyUESXWZFDIQXYPR-CXVZIJRBSA-N
MW249.40 g/mol
LogP3.56
Rot. Bonds5

About 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine

4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine (PubChem CID 156794924) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine
PubChem CID156794924
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine
SMILESC=C/C=C(\C=C/C)C1(OC)CCN(C(C)C)CC1
InChIInChI=1S/C16H27NO/c1-6-8-15(9-7-2)16(18-5)10-12-17(13-11-16)14(3)4/h6-9,14H,1,10-13H2,2-5H3/b9-7-,15-8+
InChIKeyUESXWZFDIQXYPR-CXVZIJRBSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine 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-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine?
The IUPAC name of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine (CID 156794924) is 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine is C=C/C=C(\C=C/C)C1(OC)CCN(C(C)C)CC1.
What is the InChIKey of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine?
The InChIKey is UESXWZFDIQXYPR-CXVZIJRBSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-8-15(9-7-2)16(18-5)10-12-17(13-11-16)14(3)4/h6-9,14H,1,10-13H2,2-5H3/b9-7-,15-8+.
What are the key properties of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine?
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine has a molecular weight of 249.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methoxy-1-propan-2-ylpiperidine is sourced from PubChem (CID 156794924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).