ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol

C17H31NO — CID 143617059

IUPACethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol
SMILESC=C/C=C(\C=C/C)C1(O)CCN(CCC)CC1.CC
InChIInChI=1S/C15H25NO.C2H6/c1-4-7-14(8-5-2)15(17)9-12-16(11-6-3)13-10-15;1-2/h4-5,7-8,17H,1,6,9-13H2,2-3H3;1-2H3/b8-5-,14-7+;
InChIKeyNLLRUVDAQRDFGG-HRAZISOHSA-N
MW265.44 g/mol
LogP3.94
Rot. Bonds5

About ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol

ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol (PubChem CID 143617059) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol.

Molecular Properties

Compound Nameethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol
PubChem CID143617059
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Nameethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol
SMILESC=C/C=C(\C=C/C)C1(O)CCN(CCC)CC1.CC
InChIInChI=1S/C15H25NO.C2H6/c1-4-7-14(8-5-2)15(17)9-12-16(11-6-3)13-10-15;1-2/h4-5,7-8,17H,1,6,9-13H2,2-3H3;1-2H3/b8-5-,14-7+;
InChIKeyNLLRUVDAQRDFGG-HRAZISOHSA-N
XLogP3.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(Z)-3-hydroxy-3-methylbut-1-enyl]-1-methylpiperidin-4-ol;hydrochloride
CID 12283011
4-(3-Hydroxy-3-methyl-1-butenyl)-1-methyl-4-piperidinol
CID 12283012
4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 134365797
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
1-methyl-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidin-4-ol
CID 146582433
4-[(2Z,4E)-2-chloro-6,6,6-trifluoro-5-methylhexa-2,4-dien-3-yl]-1-(4-methylpent-4-enyl)piperidin-4-ol
CID 141880083
1-Butyl-4-[4-methyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidin-4-ol
CID 162581636
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-Methyl-4-hydroxybenzylpiperidine
CID 69949887
1-[(E)-but-2-en-2-yl]-4-[(3Z,5E)-5-chlorohepta-1,3,5-trien-2-yl]piperidin-4-ol
CID 89073947
4-ethyl-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 89840395
4-But-2-en-2-yl-1-methylpiperidin-4-ol
CID 91525335

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol?
The IUPAC name of ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol (CID 143617059) is ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol.
What is the SMILES notation for ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol?
The canonical SMILES for ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol is C=C/C=C(\C=C/C)C1(O)CCN(CCC)CC1.CC.
What is the InChIKey of ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol?
The InChIKey is NLLRUVDAQRDFGG-HRAZISOHSA-N. The full InChI is InChI=1S/C15H25NO.C2H6/c1-4-7-14(8-5-2)15(17)9-12-16(11-6-3)13-10-15;1-2/h4-5,7-8,17H,1,6,9-13H2,2-3H3;1-2H3/b8-5-,14-7+;.
What are the key properties of ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol?
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol has a molecular weight of 265.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-propylpiperidin-4-ol is sourced from PubChem (CID 143617059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).