2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol

C15H25NO2 — CID 162439370

IUPAC2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
SMILESC=C(/C=C\C=C(C)C)CN1CCC(O)CC1CO
InChIInChI=1S/C15H25NO2/c1-12(2)5-4-6-13(3)10-16-8-7-15(18)9-14(16)11-17/h4-6,14-15,17-18H,3,7-11H2,1-2H3/b6-4-
InChIKeyKCLNXLLOWKGFLC-XQRVVYSFSA-N
MW251.37 g/mol
LogP1.88
Rot. Bonds5

About 2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol

2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol (PubChem CID 162439370) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
PubChem CID162439370
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
SMILESC=C(/C=C\C=C(C)C)CN1CCC(O)CC1CO
InChIInChI=1S/C15H25NO2/c1-12(2)5-4-6-13(3)10-16-8-7-15(18)9-14(16)11-17/h4-6,14-15,17-18H,3,7-11H2,1-2H3/b6-4-
InChIKeyKCLNXLLOWKGFLC-XQRVVYSFSA-N
XLogP1.88
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2S,3R,6S)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-2-(hydroxymethyl)-1-methylpiperidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol?
The IUPAC name of 2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol (CID 162439370) is 2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol is C=C(/C=C\C=C(C)C)CN1CCC(O)CC1CO.
What is the InChIKey of 2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol?
The InChIKey is KCLNXLLOWKGFLC-XQRVVYSFSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)5-4-6-13(3)10-16-8-7-15(18)9-14(16)11-17/h4-6,14-15,17-18H,3,7-11H2,1-2H3/b6-4-.
What are the key properties of 2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol?
2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol has a molecular weight of 251.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-[(3Z)-6-methyl-2-methylidenehepta-3,5-dienyl]piperidin-4-ol is sourced from PubChem (CID 162439370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).