(1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine

C8H15N3 — CID 163552940

IUPAC(1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine
SMILESC=C(/C=C/N)N1CCNCC1
InChIInChI=1S/C8H15N3/c1-8(2-3-9)11-6-4-10-5-7-11/h2-3,10H,1,4-7,9H2/b3-2+
InChIKeyFKOVCIPGEHIIKW-NSCUHMNNSA-N
MW153.23 g/mol
LogP-0.12
Rot. Bonds2

About (1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine

(1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine (PubChem CID 163552940) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine
PubChem CID163552940
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine
SMILESC=C(/C=C/N)N1CCNCC1
InChIInChI=1S/C8H15N3/c1-8(2-3-9)11-6-4-10-5-7-11/h2-3,10H,1,4-7,9H2/b3-2+
InChIKeyFKOVCIPGEHIIKW-NSCUHMNNSA-N
XLogP-0.12
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-hepta-1,3,5-trien-2-ylpiperazine
CID 90763085
2-piperazin-1-ylprop-2-enal
CID 173106377
(2E)-N,N-dimethyl-4-piperazin-1-ylpenta-2,4-dien-1-amine
CID 139338168
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]piperazine
CID 142202942
N'-[(Z)-2-aminoethenyl]piperazine-1-carboximidamide
CID 155722729
(E)-1,4-di(piperazin-1-yl)but-2-ene-1,4-dione
CID 141152573
(1Z,3E)-3-(3,9-diazaspiro[5.5]undecan-3-yl)hexa-1,3,5-trien-1-amine
CID 89034874
piperazine-1-carboxamide;zinc
CID 175213463
ethene;1-piperazin-1-ylethanone
CID 145071339
(3Z,4E)-4-[(Z)-2-aminoethenyl]-3-[(4-fluorophenyl)-hydrazinylmethylidene]-2-methylidene-1-piperazin-1-ylhepta-4,6-dien-1-one
CID 89331642
(2E)-2-hydroxyimino-1-piperazin-1-ylethanone
CID 153463003
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine
CID 143059100

Frequently Asked Questions

What is the IUPAC name of (1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine?
The IUPAC name of (1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine (CID 163552940) is (1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine?
The canonical SMILES for (1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine is C=C(/C=C/N)N1CCNCC1.
What is the InChIKey of (1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine?
The InChIKey is FKOVCIPGEHIIKW-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15N3/c1-8(2-3-9)11-6-4-10-5-7-11/h2-3,10H,1,4-7,9H2/b3-2+.
What are the key properties of (1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine?
(1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine has a molecular weight of 153.23 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-3-piperazin-1-ylbuta-1,3-dien-1-amine is sourced from PubChem (CID 163552940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).