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

C13H21NO — CID 143791888

IUPAC4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol
SMILESC=C/C(C)=C\C=C(/C)C1(O)CCNCC1
InChIInChI=1S/C13H21NO/c1-4-11(2)5-6-12(3)13(15)7-9-14-10-8-13/h4-6,14-15H,1,7-10H2,2-3H3/b11-5-,12-6+
InChIKeyWDRYORPBOZXWJP-JTAXDKCCSA-N
MW207.32 g/mol
LogP2.18
Rot. Bonds3

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

4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol (PubChem CID 143791888) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol
PubChem CID143791888
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol
SMILESC=C/C(C)=C\C=C(/C)C1(O)CCNCC1
InChIInChI=1S/C13H21NO/c1-4-11(2)5-6-12(3)13(15)7-9-14-10-8-13/h4-6,14-15H,1,7-10H2,2-3H3/b11-5-,12-6+
InChIKeyWDRYORPBOZXWJP-JTAXDKCCSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.18
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-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol?
The IUPAC name of 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol (CID 143791888) is 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol?
The canonical SMILES for 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol is C=C/C(C)=C\C=C(/C)C1(O)CCNCC1.
What is the InChIKey of 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol?
The InChIKey is WDRYORPBOZXWJP-JTAXDKCCSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(2)5-6-12(3)13(15)7-9-14-10-8-13/h4-6,14-15H,1,7-10H2,2-3H3/b11-5-,12-6+.
What are the key properties of 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol?
4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol has a molecular weight of 207.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol is sourced from PubChem (CID 143791888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).