(2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine

C11H21N3O — CID 142202965

IUPAC(2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine
SMILESCO/C(=C/C=C(\C)N1CCNCC1)CN
InChIInChI=1S/C11H21N3O/c1-10(3-4-11(9-12)15-2)14-7-5-13-6-8-14/h3-4,13H,5-9,12H2,1-2H3/b10-3+,11-4+
InChIKeyOVRSLZWRDTWXCM-HULALXFYSA-N
MW211.31 g/mol
LogP0.28
Rot. Bonds4

About (2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine

(2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine (PubChem CID 142202965) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine
PubChem CID142202965
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine
SMILESCO/C(=C/C=C(\C)N1CCNCC1)CN
InChIInChI=1S/C11H21N3O/c1-10(3-4-11(9-12)15-2)14-7-5-13-6-8-14/h3-4,13H,5-9,12H2,1-2H3/b10-3+,11-4+
InChIKeyOVRSLZWRDTWXCM-HULALXFYSA-N
XLogP0.28
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(Difluoromethoxy)-4-fluorohexa-2,4-dien-3-yl]piperazine
CID 90729357
(1Z,3E)-5-N-(2-methoxyethyl)-3-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
CID 89121450
1-(5-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 91072400
1-(6-Methyl-1,2-dihydropyridin-3-yl)-4-(oxetan-3-yl)piperazine
CID 118423062
1-(5-Methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
CID 123507334
1-(4-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 123867482
1-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazine
CID 123992968
N-methyl-2-[(6-methyl-1,2-dihydropyridin-3-yl)oxy]ethanamine
CID 134406517
1-[(2Z,4Z)-2-methoxyhepta-2,4-dien-6-yn-3-yl]piperazine
CID 141791660
N'-ethyl-N'-methyl-N-[(1E,3E,5Z)-1-morpholin-4-ylhepta-1,3,5-trien-4-yl]ethane-1,2-diamine
CID 142099637
1-(4-Methoxycyclohepta-1,3,6-trien-1-yl)piperazine
CID 142202921
1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]piperazine
CID 142202925

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine (CID 142202965) is (2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine is CO/C(=C/C=C(\C)N1CCNCC1)CN.
What is the InChIKey of (2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine?
The InChIKey is OVRSLZWRDTWXCM-HULALXFYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(3-4-11(9-12)15-2)14-7-5-13-6-8-14/h3-4,13H,5-9,12H2,1-2H3/b10-3+,11-4+.
What are the key properties of (2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine?
(2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine has a molecular weight of 211.31 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine is sourced from PubChem (CID 142202965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).