4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol

C20H35NO — CID 45109865

IUPAC4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol
SMILESCCC/C=C\CC/C=C/C=C/C1CCCC(CCCCO)N1
InChIInChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-14-19-16-13-17-20(21-19)15-11-12-18-22/h4-5,8-10,14,19-22H,2-3,6-7,11-13,15-18H2,1H3/b5-4-,9-8+,14-10+
InChIKeySWJAJYNVBOUDCL-DOZYUARPSA-N
MW305.51 g/mol
LogP4.91
Rot. Bonds11

About 4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol

4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol (PubChem CID 45109865) has the molecular formula C20H35NO and a molecular weight of 305.51 g/mol. Its IUPAC name is 4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol
PubChem CID45109865
Molecular FormulaC20H35NO
Molecular Weight305.51 g/mol
Exact Mass305.27
IUPAC Name4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol
SMILESCCC/C=C\CC/C=C/C=C/C1CCCC(CCCCO)N1
InChIInChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-14-19-16-13-17-20(21-19)15-11-12-18-22/h4-5,8-10,14,19-22H,2-3,6-7,11-13,15-18H2,1H3/b5-4-,9-8+,14-10+
InChIKeySWJAJYNVBOUDCL-DOZYUARPSA-N
XLogP4.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol?
The IUPAC name of 4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol (CID 45109865) is 4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol.
What is the SMILES notation for 4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol?
The canonical SMILES for 4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol is CCC/C=C\CC/C=C/C=C/C1CCCC(CCCCO)N1.
What is the InChIKey of 4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol?
The InChIKey is SWJAJYNVBOUDCL-DOZYUARPSA-N. The full InChI is InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-14-19-16-13-17-20(21-19)15-11-12-18-22/h4-5,8-10,14,19-22H,2-3,6-7,11-13,15-18H2,1H3/b5-4-,9-8+,14-10+.
What are the key properties of 4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol?
4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol has a molecular weight of 305.51 g/mol, XLogP of 4.91, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1E,3E,7Z)-undeca-1,3,7-trienyl]piperidin-2-yl]butan-1-ol is sourced from PubChem (CID 45109865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).