1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene

C16H27N — CID 143658609

IUPAC1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene
SMILESC=C/C=C(C=C)\C=C/C.CC1CCN(C)CC1
InChIInChI=1S/C9H12.C7H15N/c1-4-7-9(6-3)8-5-2;1-7-3-5-8(2)6-4-7/h4-8H,1,3H2,2H3;7H,3-6H2,1-2H3/b8-5-,9-7-;
InChIKeyWHLXYPQHQBRPIA-ITPZDKBUSA-N
MW233.40 g/mol
LogP4.21
Rot. Bonds3

About 1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene

1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene (PubChem CID 143658609) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene.

Molecular Properties

Compound Name1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene
PubChem CID143658609
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene
SMILESC=C/C=C(C=C)\C=C/C.CC1CCN(C)CC1
InChIInChI=1S/C9H12.C7H15N/c1-4-7-9(6-3)8-5-2;1-7-3-5-8(2)6-4-7/h4-8H,1,3H2,2H3;7H,3-6H2,1-2H3/b8-5-,9-7-;
InChIKeyWHLXYPQHQBRPIA-ITPZDKBUSA-N
XLogP4.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene?
The IUPAC name of 1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene (CID 143658609) is 1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene.
What is the SMILES notation for 1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene?
The canonical SMILES for 1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene is C=C/C=C(C=C)\C=C/C.CC1CCN(C)CC1.
What is the InChIKey of 1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene?
The InChIKey is WHLXYPQHQBRPIA-ITPZDKBUSA-N. The full InChI is InChI=1S/C9H12.C7H15N/c1-4-7-9(6-3)8-5-2;1-7-3-5-8(2)6-4-7/h4-8H,1,3H2,2H3;7H,3-6H2,1-2H3/b8-5-,9-7-;.
What are the key properties of 1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene?
1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene has a molecular weight of 233.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidine;(3Z,5Z)-4-ethenylhepta-1,3,5-triene is sourced from PubChem (CID 143658609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).