[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol

C12H19NO — CID 143618659

IUPAC[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
SMILESC=C/C=C(\C=C)C1(CO)CCNCC1
InChIInChI=1S/C12H19NO/c1-3-5-11(4-2)12(10-14)6-8-13-9-7-12/h3-5,13-14H,1-2,6-10H2/b11-5+
InChIKeyOGZFYRVXIUAZBK-VZUCSPMQSA-N
MW193.29 g/mol
LogP1.65
Rot. Bonds4

About [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol

[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol (PubChem CID 143618659) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
PubChem CID143618659
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
SMILESC=C/C=C(\C=C)C1(CO)CCNCC1
InChIInChI=1S/C12H19NO/c1-3-5-11(4-2)12(10-14)6-8-13-9-7-12/h3-5,13-14H,1-2,6-10H2/b11-5+
InChIKeyOGZFYRVXIUAZBK-VZUCSPMQSA-N
XLogP1.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-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

Frequently Asked Questions

What is the IUPAC name of [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The IUPAC name of [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol (CID 143618659) is [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol is C=C/C=C(\C=C)C1(CO)CCNCC1.
What is the InChIKey of [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The InChIKey is OGZFYRVXIUAZBK-VZUCSPMQSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-11(4-2)12(10-14)6-8-13-9-7-12/h3-5,13-14H,1-2,6-10H2/b11-5+.
What are the key properties of [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol has a molecular weight of 193.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 143618659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).