1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol

C13H21NO — CID 142260643

IUPAC1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol
SMILESC=C/C(C)=C\C=C(/C)N1CCC(O)CC1
InChIInChI=1S/C13H21NO/c1-4-11(2)5-6-12(3)14-9-7-13(15)8-10-14/h4-6,13,15H,1,7-10H2,2-3H3/b11-5-,12-6+
InChIKeySSFJWYISBKTQBX-JTAXDKCCSA-N
MW207.32 g/mol
LogP2.48
Rot. Bonds3

About 1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol

1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol (PubChem CID 142260643) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol
PubChem CID142260643
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol
SMILESC=C/C(C)=C\C=C(/C)N1CCC(O)CC1
InChIInChI=1S/C13H21NO/c1-4-11(2)5-6-12(3)14-9-7-13(15)8-10-14/h4-6,13,15H,1,7-10H2,2-3H3/b11-5-,12-6+
InChIKeySSFJWYISBKTQBX-JTAXDKCCSA-N
XLogP2.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-Fluorohexa-1,3,5-trien-3-yl)piperidin-4-ol
CID 123261031
1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
CID 88905165
1-(3-Methylbut-1-en-2-yl)piperidin-4-ol
CID 142588017
1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol
CID 143150891
1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 143718323
1-[(3E)-penta-1,3-dien-3-yl]piperidin-4-ol
CID 145169483
4-[methyl-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]amino]butan-2-ol
CID 145356688
1-[3-methylbuta-1,3-dien-2-yl-[(Z)-prop-1-enyl]amino]pentan-3-ol
CID 145640491
(2R)-4-(4-methyl-2H-pyridin-1-yl)butan-2-ol
CID 153556772
1-[(4E,6E)-2-methyldeca-2,4,6-trien-5-yl]piperidin-4-ol
CID 156421147
ethane;4-[methyl-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]amino]butan-2-ol
CID 156818173
1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol
CID 163860284

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol?
The IUPAC name of 1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol (CID 142260643) is 1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol is C=C/C(C)=C\C=C(/C)N1CCC(O)CC1.
What is the InChIKey of 1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol?
The InChIKey is SSFJWYISBKTQBX-JTAXDKCCSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(2)5-6-12(3)14-9-7-13(15)8-10-14/h4-6,13,15H,1,7-10H2,2-3H3/b11-5-,12-6+.
What are the key properties of 1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol?
1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol has a molecular weight of 207.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol is sourced from PubChem (CID 142260643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).