[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol

C14H25NO — CID 122535899

IUPAC[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol
SMILESCC/C=C\C=C(/C)CN1CCC(CO)CC1
InChIInChI=1S/C14H25NO/c1-3-4-5-6-13(2)11-15-9-7-14(12-16)8-10-15/h4-6,14,16H,3,7-12H2,1-2H3/b5-4-,13-6+
InChIKeyJVZMSVLKDCHDBB-VRPUZZSBSA-N
MW223.36 g/mol
LogP2.60
Rot. Bonds5

About [1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol

[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol (PubChem CID 122535899) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is [1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol
PubChem CID122535899
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol
SMILESCC/C=C\C=C(/C)CN1CCC(CO)CC1
InChIInChI=1S/C14H25NO/c1-3-4-5-6-13(2)11-15-9-7-14(12-16)8-10-15/h4-6,14,16H,3,7-12H2,1-2H3/b5-4-,13-6+
InChIKeyJVZMSVLKDCHDBB-VRPUZZSBSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.60
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 [1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol (CID 122535899) is [1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol is CC/C=C\C=C(/C)CN1CCC(CO)CC1.
What is the InChIKey of [1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol?
The InChIKey is JVZMSVLKDCHDBB-VRPUZZSBSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-4-5-6-13(2)11-15-9-7-14(12-16)8-10-15/h4-6,14,16H,3,7-12H2,1-2H3/b5-4-,13-6+.
What are the key properties of [1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol?
[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol has a molecular weight of 223.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol is sourced from PubChem (CID 122535899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).