2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol

C23H38N2O2 — CID 155806569

IUPAC2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol
SMILESC/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCN(CCO)CC1
InChIInChI=1S/C23H38N2O2/c1-21(8-4-10-23-11-19-27-20-23)6-3-7-22(2)9-5-12-24-13-15-25(16-14-24)17-18-26/h7-8,11,19-20,26H,3-6,9-10,12-18H2,1-2H3/b21-8+,22-7+
InChIKeyDXQXUMVAAIXZPE-JEPCQTPVSA-N
MW374.57 g/mol
LogP4.28
Rot. Bonds12

About 2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol

2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol (PubChem CID 155806569) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol
PubChem CID155806569
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC Name2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol
SMILESC/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCN(CCO)CC1
InChIInChI=1S/C23H38N2O2/c1-21(8-4-10-23-11-19-27-20-23)6-3-7-22(2)9-5-12-24-13-15-25(16-14-24)17-18-26/h7-8,11,19-20,26H,3-6,9-10,12-18H2,1-2H3/b21-8+,22-7+
InChIKeyDXQXUMVAAIXZPE-JEPCQTPVSA-N
XLogP4.28
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol (CID 155806569) is 2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol is C/C(=C\CCc1ccoc1)CC/C=C(\C)CCCN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol?
The InChIKey is DXQXUMVAAIXZPE-JEPCQTPVSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-21(8-4-10-23-11-19-27-20-23)6-3-7-22(2)9-5-12-24-13-15-25(16-14-24)17-18-26/h7-8,11,19-20,26H,3-6,9-10,12-18H2,1-2H3/b21-8+,22-7+.
What are the key properties of 2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol?
2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol has a molecular weight of 374.57 g/mol, XLogP of 4.28, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4E,8E)-11-(furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 155806569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).