2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol

C14H23N5O — CID 168968776

IUPAC2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol
SMILESNC(N)=C(/C=C(\N)C1=C(O)CCC=C1)N1CCNCC1
InChIInChI=1S/C14H23N5O/c15-11(10-3-1-2-4-13(10)20)9-12(14(16)17)19-7-5-18-6-8-19/h1,3,9,18,20H,2,4-8,15-17H2/b11-9-
InChIKeyUWHBEXDEVRNKOG-LUAWRHEFSA-N
MW277.37 g/mol
LogP-0.02
Rot. Bonds3

About 2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol

2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol (PubChem CID 168968776) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol
PubChem CID168968776
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol
SMILESNC(N)=C(/C=C(\N)C1=C(O)CCC=C1)N1CCNCC1
InChIInChI=1S/C14H23N5O/c15-11(10-3-1-2-4-13(10)20)9-12(14(16)17)19-7-5-18-6-8-19/h1,3,9,18,20H,2,4-8,15-17H2/b11-9-
InChIKeyUWHBEXDEVRNKOG-LUAWRHEFSA-N
XLogP-0.02
TPSA113.56 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol with MolForge

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Related Compounds

3-[Methyl-[2-(methylamino)ethyl]amino]cyclohexa-1,3-dien-1-ol
CID 89224469
[6-(Hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol
CID 90743393
3-(Piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol
CID 126657044
3-Piperazin-1-ylcyclohexa-1,3-dien-1-ol
CID 143618271
(2Z,4Z)-4,7,7-triamino-3-[(Z)-but-1-enyl]-6-piperazin-1-ylhepta-2,4,6-trien-2-ol
CID 168968812
[6-(Hydroxymethylidene)-4-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene]methanol;hydrochloride
CID 173133964
6-Amino-2-piperazin-1-ylcyclohexa-1,3-dien-1-ol
CID 176132453
6-Amino-2-(piperazin-1-ylmethyl)cyclohexa-1,3-dien-1-ol
CID 176132473
(3Z,5Z)-4-piperazin-1-ylocta-3,5,7-trien-3-ol
CID 143561889

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol (CID 168968776) is 2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol is NC(N)=C(/C=C(\N)C1=C(O)CCC=C1)N1CCNCC1.
What is the InChIKey of 2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol?
The InChIKey is UWHBEXDEVRNKOG-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H23N5O/c15-11(10-3-1-2-4-13(10)20)9-12(14(16)17)19-7-5-18-6-8-19/h1,3,9,18,20H,2,4-8,15-17H2/b11-9-.
What are the key properties of 2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol?
2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol has a molecular weight of 277.37 g/mol, XLogP of -0.02, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-1,4,4-triamino-3-piperazin-1-ylbuta-1,3-dienyl]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 168968776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).