(4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol

C18H32N2O — CID 126517203

IUPAC(4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol
SMILESC=C/C(=C\C=C/C)CC(NC(C)C)C(O)N1CCCCC1
InChIInChI=1S/C18H32N2O/c1-5-7-11-16(6-2)14-17(19-15(3)4)18(21)20-12-9-8-10-13-20/h5-7,11,15,17-19,21H,2,8-10,12-14H2,1,3-4H3/b7-5-,16-11+
InChIKeyQXBZFXAWZYQLER-GDJQGNDCSA-N
MW292.47 g/mol
LogP3.24
Rot. Bonds8

About (4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol

(4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol (PubChem CID 126517203) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is (4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol.

Molecular Properties

Compound Name(4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol
PubChem CID126517203
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name(4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol
SMILESC=C/C(=C\C=C/C)CC(NC(C)C)C(O)N1CCCCC1
InChIInChI=1S/C18H32N2O/c1-5-7-11-16(6-2)14-17(19-15(3)4)18(21)20-12-9-8-10-13-20/h5-7,11,15,17-19,21H,2,8-10,12-14H2,1,3-4H3/b7-5-,16-11+
InChIKeyQXBZFXAWZYQLER-GDJQGNDCSA-N
XLogP3.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol 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 (4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol?
The IUPAC name of (4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol (CID 126517203) is (4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol.
What is the SMILES notation for (4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol?
The canonical SMILES for (4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol is C=C/C(=C\C=C/C)CC(NC(C)C)C(O)N1CCCCC1.
What is the InChIKey of (4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol?
The InChIKey is QXBZFXAWZYQLER-GDJQGNDCSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-7-11-16(6-2)14-17(19-15(3)4)18(21)20-12-9-8-10-13-20/h5-7,11,15,17-19,21H,2,8-10,12-14H2,1,3-4H3/b7-5-,16-11+.
What are the key properties of (4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol?
(4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol has a molecular weight of 292.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol is sourced from PubChem (CID 126517203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).