[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine

C13H22N2 — CID 88582872

IUPAC[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine
SMILESC=C/C=C\C(=C/C)C1(CN)CCNCC1
InChIInChI=1S/C13H22N2/c1-3-5-6-12(4-2)13(11-14)7-9-15-10-8-13/h3-6,15H,1,7-11,14H2,2H3/b6-5-,12-4+
InChIKeyFKQDPAOUVVAEIZ-JWUPWDRQSA-N
MW206.33 g/mol
LogP2.00
Rot. Bonds4

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

[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine (PubChem CID 88582872) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is [4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine
PubChem CID88582872
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine
SMILESC=C/C=C\C(=C/C)C1(CN)CCNCC1
InChIInChI=1S/C13H22N2/c1-3-5-6-12(4-2)13(11-14)7-9-15-10-8-13/h3-6,15H,1,7-11,14H2,2H3/b6-5-,12-4+
InChIKeyFKQDPAOUVVAEIZ-JWUPWDRQSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.00
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)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine?
The IUPAC name of [4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine (CID 88582872) is [4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine is C=C/C=C\C(=C/C)C1(CN)CCNCC1.
What is the InChIKey of [4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine?
The InChIKey is FKQDPAOUVVAEIZ-JWUPWDRQSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-5-6-12(4-2)13(11-14)7-9-15-10-8-13/h3-6,15H,1,7-11,14H2,2H3/b6-5-,12-4+.
What are the key properties of [4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine?
[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine has a molecular weight of 206.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 88582872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).