[4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol

C14H23NO — CID 142172425

IUPAC[4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol
SMILESC/C=C\C=C(/C=C\C)C1CCNCC1CO
InChIInChI=1S/C14H23NO/c1-3-5-7-12(6-4-2)14-8-9-15-10-13(14)11-16/h3-7,13-16H,8-11H2,1-2H3/b5-3-,6-4-,12-7+
InChIKeyAUHOMKPDUBDRPZ-WFYFVCBASA-N
MW221.34 g/mol
LogP2.28
Rot. Bonds4

About [4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol

[4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol (PubChem CID 142172425) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is [4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol
PubChem CID142172425
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name[4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol
SMILESC/C=C\C=C(/C=C\C)C1CCNCC1CO
InChIInChI=1S/C14H23NO/c1-3-5-7-12(6-4-2)14-8-9-15-10-13(14)11-16/h3-7,13-16H,8-11H2,1-2H3/b5-3-,6-4-,12-7+
InChIKeyAUHOMKPDUBDRPZ-WFYFVCBASA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
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-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol (CID 142172425) is [4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol is C/C=C\C=C(/C=C\C)C1CCNCC1CO.
What is the InChIKey of [4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol?
The InChIKey is AUHOMKPDUBDRPZ-WFYFVCBASA-N. The full InChI is InChI=1S/C14H23NO/c1-3-5-7-12(6-4-2)14-8-9-15-10-13(14)11-16/h3-7,13-16H,8-11H2,1-2H3/b5-3-,6-4-,12-7+.
What are the key properties of [4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol?
[4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol has a molecular weight of 221.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 142172425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).