[(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol

C14H23NO2 — CID 130271490

IUPAC[(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol
SMILESC=C(/C=C\C=C(/C)OC)[C@H]1CCNC[C@@H]1CO
InChIInChI=1S/C14H23NO2/c1-11(5-4-6-12(2)17-3)14-7-8-15-9-13(14)10-16/h4-6,13-16H,1,7-10H2,2-3H3/b5-4-,12-6+/t13-,14-/m1/s1
InChIKeyHEVKVWDZASDAKA-HJZHJVPBSA-N
MW237.34 g/mol
LogP1.87
Rot. Bonds5

About [(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol

[(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol (PubChem CID 130271490) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol
PubChem CID130271490
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol
SMILESC=C(/C=C\C=C(/C)OC)[C@H]1CCNC[C@@H]1CO
InChIInChI=1S/C14H23NO2/c1-11(5-4-6-12(2)17-3)14-7-8-15-9-13(14)10-16/h4-6,13-16H,1,7-10H2,2-3H3/b5-4-,12-6+/t13-,14-/m1/s1
InChIKeyHEVKVWDZASDAKA-HJZHJVPBSA-N
XLogP1.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol 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-(4-Fluorocyclohexa-1,5-dien-1-yl)piperidin-3-yl]methanol
CID 164007189
(2E,4Z)-4-piperidin-4-ylhexa-2,4-diene-1,3-diol
CID 129131545
[4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol
CID 142172425
[(3R,4S)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperidin-3-yl]methanol
CID 142172427
ethane;[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol
CID 143269832
[3-[(Z,2Z)-2-ethylidenepent-3-enyl]piperidin-3-yl]methanol
CID 143269833

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol (CID 130271490) is [(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol is C=C(/C=C\C=C(/C)OC)[C@H]1CCNC[C@@H]1CO.
What is the InChIKey of [(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol?
The InChIKey is HEVKVWDZASDAKA-HJZHJVPBSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(5-4-6-12(2)17-3)14-7-8-15-9-13(14)10-16/h4-6,13-16H,1,7-10H2,2-3H3/b5-4-,12-6+/t13-,14-/m1/s1.
What are the key properties of [(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol?
[(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol has a molecular weight of 237.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-[(3Z,5E)-6-methoxyhepta-1,3,5-trien-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 130271490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).