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

C13H21NO — CID 178142445

IUPAC[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
SMILESC=C/C(=C\C(=C)C)N1CCC(CO)CC1
InChIInChI=1S/C13H21NO/c1-4-13(9-11(2)3)14-7-5-12(10-15)6-8-14/h4,9,12,15H,1-2,5-8,10H2,3H3/b13-9+
InChIKeyCMAYXAUVOLWZFZ-UKTHLTGXSA-N
MW207.32 g/mol
LogP2.34
Rot. Bonds4

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

[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol (PubChem CID 178142445) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
PubChem CID178142445
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
SMILESC=C/C(=C\C(=C)C)N1CCC(CO)CC1
InChIInChI=1S/C13H21NO/c1-4-13(9-11(2)3)14-7-5-12(10-15)6-8-14/h4,9,12,15H,1-2,5-8,10H2,3H3/b13-9+
InChIKeyCMAYXAUVOLWZFZ-UKTHLTGXSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-[(3E)-5-methylhexa-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 [1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol (CID 178142445) is [1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol is C=C/C(=C\C(=C)C)N1CCC(CO)CC1.
What is the InChIKey of [1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
The InChIKey is CMAYXAUVOLWZFZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-13(9-11(2)3)14-7-5-12(10-15)6-8-14/h4,9,12,15H,1-2,5-8,10H2,3H3/b13-9+.
What are the key properties of [1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol?
[1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol has a molecular weight of 207.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 178142445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).