1-aminocyclohexa-2,4-dien-1-ol;piperazine

C10H19N3O — CID 159158069

IUPAC1-aminocyclohexa-2,4-dien-1-ol;piperazine
SMILESC1CNCCN1.NC1(O)C=CC=CC1
InChIInChI=1S/C6H9NO.C4H10N2/c7-6(8)4-2-1-3-5-6;1-2-6-4-3-5-1/h1-4,8H,5,7H2;5-6H,1-4H2
InChIKeyKKDHMVRYBTYNJC-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.67
Rot. Bonds

About 1-aminocyclohexa-2,4-dien-1-ol;piperazine

1-aminocyclohexa-2,4-dien-1-ol;piperazine (PubChem CID 159158069) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-aminocyclohexa-2,4-dien-1-ol;piperazine.

Molecular Properties

Compound Name1-aminocyclohexa-2,4-dien-1-ol;piperazine
PubChem CID159158069
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-aminocyclohexa-2,4-dien-1-ol;piperazine
SMILESC1CNCCN1.NC1(O)C=CC=CC1
InChIInChI=1S/C6H9NO.C4H10N2/c7-6(8)4-2-1-3-5-6;1-2-6-4-3-5-1/h1-4,8H,5,7H2;5-6H,1-4H2
InChIKeyKKDHMVRYBTYNJC-UHFFFAOYSA-N
XLogP-0.67
TPSA70.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminocyclohexa-2,4-dien-1-ol;piperazine?
The IUPAC name of 1-aminocyclohexa-2,4-dien-1-ol;piperazine (CID 159158069) is 1-aminocyclohexa-2,4-dien-1-ol;piperazine.
What is the SMILES notation for 1-aminocyclohexa-2,4-dien-1-ol;piperazine?
The canonical SMILES for 1-aminocyclohexa-2,4-dien-1-ol;piperazine is C1CNCCN1.NC1(O)C=CC=CC1.
What is the InChIKey of 1-aminocyclohexa-2,4-dien-1-ol;piperazine?
The InChIKey is KKDHMVRYBTYNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H10N2/c7-6(8)4-2-1-3-5-6;1-2-6-4-3-5-1/h1-4,8H,5,7H2;5-6H,1-4H2.
What are the key properties of 1-aminocyclohexa-2,4-dien-1-ol;piperazine?
1-aminocyclohexa-2,4-dien-1-ol;piperazine has a molecular weight of 197.28 g/mol, XLogP of -0.67, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclohexa-2,4-dien-1-ol;piperazine is sourced from PubChem (CID 159158069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).