[1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol

C23H37NO2 — CID 155814643

IUPAC[1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol
SMILESC/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCC(CO)CC1
InChIInChI=1S/C23H37NO2/c1-20(8-4-10-23-13-17-26-19-23)6-3-7-21(2)9-5-14-24-15-11-22(18-25)12-16-24/h7-8,13,17,19,22,25H,3-6,9-12,14-16,18H2,1-2H3/b20-8+,21-7+
InChIKeyJKGUXGSWVLFJNV-LHEDLMNPSA-N
MW359.55 g/mol
LogP5.37
Rot. Bonds11

About [1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol

[1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol (PubChem CID 155814643) has the molecular formula C23H37NO2 and a molecular weight of 359.55 g/mol. Its IUPAC name is [1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol
PubChem CID155814643
Molecular FormulaC23H37NO2
Molecular Weight359.55 g/mol
Exact Mass359.28
IUPAC Name[1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol
SMILESC/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCC(CO)CC1
InChIInChI=1S/C23H37NO2/c1-20(8-4-10-23-13-17-26-19-23)6-3-7-21(2)9-5-14-24-15-11-22(18-25)12-16-24/h7-8,13,17,19,22,25H,3-6,9-12,14-16,18H2,1-2H3/b20-8+,21-7+
InChIKeyJKGUXGSWVLFJNV-LHEDLMNPSA-N
XLogP5.37
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.55
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]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-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol (CID 155814643) is [1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol is C/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCC(CO)CC1.
What is the InChIKey of [1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol?
The InChIKey is JKGUXGSWVLFJNV-LHEDLMNPSA-N. The full InChI is InChI=1S/C23H37NO2/c1-20(8-4-10-23-13-17-26-19-23)6-3-7-21(2)9-5-14-24-15-11-22(18-25)12-16-24/h7-8,13,17,19,22,25H,3-6,9-12,14-16,18H2,1-2H3/b20-8+,21-7+.
What are the key properties of [1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol?
[1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol has a molecular weight of 359.55 g/mol, XLogP of 5.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol is sourced from PubChem (CID 155814643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).