2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine

C13H21N — CID 142925700

IUPAC2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine
SMILESC=C/C=C\C(=C/C)C1CCCCN1C
InChIInChI=1S/C13H21N/c1-4-6-9-12(5-2)13-10-7-8-11-14(13)3/h4-6,9,13H,1,7-8,10-11H2,2-3H3/b9-6-,12-5+
InChIKeyCJAAZHQIJLWGBR-XICQONQWSA-N
MW191.32 g/mol
LogP3.16
Rot. Bonds3

About 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine

2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine (PubChem CID 142925700) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine.

Molecular Properties

Compound Name2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine
PubChem CID142925700
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine
SMILESC=C/C=C\C(=C/C)C1CCCCN1C
InChIInChI=1S/C13H21N/c1-4-6-9-12(5-2)13-10-7-8-11-14(13)3/h4-6,9,13H,1,7-8,10-11H2,2-3H3/b9-6-,12-5+
InChIKeyCJAAZHQIJLWGBR-XICQONQWSA-N
XLogP3.16
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 ≤ 53.16
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 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine?
The IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine (CID 142925700) is 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine.
What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine?
The canonical SMILES for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine is C=C/C=C\C(=C/C)C1CCCCN1C.
What is the InChIKey of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine?
The InChIKey is CJAAZHQIJLWGBR-XICQONQWSA-N. The full InChI is InChI=1S/C13H21N/c1-4-6-9-12(5-2)13-10-7-8-11-14(13)3/h4-6,9,13H,1,7-8,10-11H2,2-3H3/b9-6-,12-5+.
What are the key properties of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine?
2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine has a molecular weight of 191.32 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-methylpiperidine is sourced from PubChem (CID 142925700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).