1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol

C17H31NO2 — CID 157039517

IUPAC1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol
SMILESC/C=C(\C=C/CC)CCCCN1CCC(O)CC1CO
InChIInChI=1S/C17H31NO2/c1-3-5-8-15(4-2)9-6-7-11-18-12-10-17(20)13-16(18)14-19/h4-5,8,16-17,19-20H,3,6-7,9-14H2,1-2H3/b8-5-,15-4+
InChIKeyRIFJZMOSSJJBBI-YGIGUCEYSA-N
MW281.44 g/mol
LogP2.89
Rot. Bonds8

About 1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol

1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol (PubChem CID 157039517) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol
PubChem CID157039517
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol
SMILESC/C=C(\C=C/CC)CCCCN1CCC(O)CC1CO
InChIInChI=1S/C17H31NO2/c1-3-5-8-15(4-2)9-6-7-11-18-12-10-17(20)13-16(18)14-19/h4-5,8,16-17,19-20H,3,6-7,9-14H2,1-2H3/b8-5-,15-4+
InChIKeyRIFJZMOSSJJBBI-YGIGUCEYSA-N
XLogP2.89
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-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

Microgrewiapine A
CID 71576920
Cryptophorine
CID 5281684
(2R,3R,6R)-6-[(1E,3E,5E,7E)-deca-1,3,5,7-tetraenyl]-1,2-dimethylpiperidin-3-ol
CID 101821061
(2S,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)-1-methylpiperidin-3-ol
CID 11108709
(3S,6R)-1-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol
CID 157039953
(2R,4R,6S)-2-(cyclohexen-1-yl)-6-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 135075681
6-Deca-1,3,5-trienyl-2-(hydroxymethyl)-1-methylpiperidin-3-ol
CID 85401795
1-(Cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol
CID 87674939
1-(1-Cyclohexa-1,5-dien-1-yl-2-hydroxyethyl)piperidin-4-ol
CID 90711064
1-(Cyclohexa-1,3-dien-1-ylmethyl)-1-methoxy-6-methylpiperidin-1-ium-3-ol
CID 90969510
1-(Cyclohexa-1,5-dien-1-ylmethyl)-1-methoxy-6-methylpiperidin-1-ium-3-ol
CID 91218835
[(5E)-1-ethyl-4-methylidene-5-prop-2-enylidenepiperidin-2-yl]methanol
CID 143866514

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol (CID 157039517) is 1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol is C/C=C(\C=C/CC)CCCCN1CCC(O)CC1CO.
What is the InChIKey of 1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol?
The InChIKey is RIFJZMOSSJJBBI-YGIGUCEYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-5-8-15(4-2)9-6-7-11-18-12-10-17(20)13-16(18)14-19/h4-5,8,16-17,19-20H,3,6-7,9-14H2,1-2H3/b8-5-,15-4+.
What are the key properties of 1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol?
1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol has a molecular weight of 281.44 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,5Z)-5-ethylidenenon-6-enyl]-2-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 157039517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).