[4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol

C13H21NO — CID 89240822

IUPAC[4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol
SMILESC=C/C=C\C=C\CC1CCN(CO)CC1
InChIInChI=1S/C13H21NO/c1-2-3-4-5-6-7-13-8-10-14(12-15)11-9-13/h2-6,13,15H,1,7-12H2/b4-3-,6-5+
InChIKeyVGWQAACVYUUJQA-DNVGVPOPSA-N
MW207.32 g/mol
LogP2.34
Rot. Bonds5

About [4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol

[4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol (PubChem CID 89240822) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol.

Molecular Properties

Compound Name[4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol
PubChem CID89240822
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol
SMILESC=C/C=C\C=C\CC1CCN(CO)CC1
InChIInChI=1S/C13H21NO/c1-2-3-4-5-6-7-13-8-10-14(12-15)11-9-13/h2-6,13,15H,1,7-12H2/b4-3-,6-5+
InChIKeyVGWQAACVYUUJQA-DNVGVPOPSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol?
The IUPAC name of [4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol (CID 89240822) is [4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol.
What is the SMILES notation for [4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol?
The canonical SMILES for [4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol is C=C/C=C\C=C\CC1CCN(CO)CC1.
What is the InChIKey of [4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol?
The InChIKey is VGWQAACVYUUJQA-DNVGVPOPSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-4-5-6-7-13-8-10-14(12-15)11-9-13/h2-6,13,15H,1,7-12H2/b4-3-,6-5+.
What are the key properties of [4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol?
[4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol has a molecular weight of 207.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2E,4Z)-hepta-2,4,6-trienyl]piperidin-1-yl]methanol is sourced from PubChem (CID 89240822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).