1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine

C13H21N — CID 143564688

IUPAC1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine
SMILESC=C/C=C\C=C(/C)N1CCC(C)CC1
InChIInChI=1S/C13H21N/c1-4-5-6-7-13(3)14-10-8-12(2)9-11-14/h4-7,12H,1,8-11H2,2-3H3/b6-5-,13-7+
InChIKeyPAHZXFOMEZATGC-RKOYKYSNSA-N
MW191.32 g/mol
LogP3.36
Rot. Bonds3

About 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine

1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine (PubChem CID 143564688) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine
PubChem CID143564688
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine
SMILESC=C/C=C\C=C(/C)N1CCC(C)CC1
InChIInChI=1S/C13H21N/c1-4-5-6-7-13(3)14-10-8-12(2)9-11-14/h4-7,12H,1,8-11H2,2-3H3/b6-5-,13-7+
InChIKeyPAHZXFOMEZATGC-RKOYKYSNSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.36
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-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine?
The IUPAC name of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine (CID 143564688) is 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine?
The canonical SMILES for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine is C=C/C=C\C=C(/C)N1CCC(C)CC1.
What is the InChIKey of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine?
The InChIKey is PAHZXFOMEZATGC-RKOYKYSNSA-N. The full InChI is InChI=1S/C13H21N/c1-4-5-6-7-13(3)14-10-8-12(2)9-11-14/h4-7,12H,1,8-11H2,2-3H3/b6-5-,13-7+.
What are the key properties of 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine?
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine has a molecular weight of 191.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methylpiperidine is sourced from PubChem (CID 143564688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).