4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol

C13H21NO — CID 134365800

IUPAC4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
SMILESC=C/C=C(\C=C/C)C1(O)CCN(C)CC1
InChIInChI=1S/C13H21NO/c1-4-6-12(7-5-2)13(15)8-10-14(3)11-9-13/h4-7,15H,1,8-11H2,2-3H3/b7-5-,12-6+
InChIKeyIFMVROUHILJDDL-NFWBANDSSA-N
MW207.32 g/mol
LogP2.13
Rot. Bonds3

About 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol

4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol (PubChem CID 134365800) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
PubChem CID134365800
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol
SMILESC=C/C=C(\C=C/C)C1(O)CCN(C)CC1
InChIInChI=1S/C13H21NO/c1-4-6-12(7-5-2)13(15)8-10-14(3)11-9-13/h4-7,15H,1,8-11H2,2-3H3/b7-5-,12-6+
InChIKeyIFMVROUHILJDDL-NFWBANDSSA-N
XLogP2.13
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 ≤ 52.13
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 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol (CID 134365800) is 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol is C=C/C=C(\C=C/C)C1(O)CCN(C)CC1.
What is the InChIKey of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol?
The InChIKey is IFMVROUHILJDDL-NFWBANDSSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-6-12(7-5-2)13(15)8-10-14(3)11-9-13/h4-7,15H,1,8-11H2,2-3H3/b7-5-,12-6+.
What are the key properties of 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol?
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol has a molecular weight of 207.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 134365800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).