1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine

C13H22N2 — CID 144685440

IUPAC1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine
SMILESC=C/C=C(\C=C/C)CN1CCC(N)CC1
InChIInChI=1S/C13H22N2/c1-3-5-12(6-4-2)11-15-9-7-13(14)8-10-15/h3-6,13H,1,7-11,14H2,2H3/b6-4-,12-5+
InChIKeyLIAQDJLQWKGVSP-GLNLJRCCSA-N
MW206.33 g/mol
LogP2.10
Rot. Bonds4

About 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine

1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine (PubChem CID 144685440) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine
PubChem CID144685440
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine
SMILESC=C/C=C(\C=C/C)CN1CCC(N)CC1
InChIInChI=1S/C13H22N2/c1-3-5-12(6-4-2)11-15-9-7-13(14)8-10-15/h3-6,13H,1,7-11,14H2,2H3/b6-4-,12-5+
InChIKeyLIAQDJLQWKGVSP-GLNLJRCCSA-N
XLogP2.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.10
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 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine?
The IUPAC name of 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine (CID 144685440) is 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine?
The canonical SMILES for 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine is C=C/C=C(\C=C/C)CN1CCC(N)CC1.
What is the InChIKey of 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine?
The InChIKey is LIAQDJLQWKGVSP-GLNLJRCCSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-5-12(6-4-2)11-15-9-7-13(14)8-10-15/h3-6,13H,1,7-11,14H2,2H3/b6-4-,12-5+.
What are the key properties of 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine?
1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine has a molecular weight of 206.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]piperidin-4-amine is sourced from PubChem (CID 144685440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).