phenol;piperazin-1-amine

C10H17N3O — CID 174785779

IUPACphenol;piperazin-1-amine
SMILESNN1CCNCC1.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H11N3/c7-6-4-2-1-3-5-6;5-7-3-1-6-2-4-7/h1-5,7H;6H,1-5H2
InChIKeyFRSFXJCUQLRRDJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.16
Rot. Bonds

About phenol;piperazin-1-amine

phenol;piperazin-1-amine (PubChem CID 174785779) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is phenol;piperazin-1-amine.

Molecular Properties

Compound Namephenol;piperazin-1-amine
PubChem CID174785779
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Namephenol;piperazin-1-amine
SMILESNN1CCNCC1.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H11N3/c7-6-4-2-1-3-5-6;5-7-3-1-6-2-4-7/h1-5,7H;6H,1-5H2
InChIKeyFRSFXJCUQLRRDJ-UHFFFAOYSA-N
XLogP0.16
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenol;piperazin-1-amine?
The IUPAC name of phenol;piperazin-1-amine (CID 174785779) is phenol;piperazin-1-amine.
What is the SMILES notation for phenol;piperazin-1-amine?
The canonical SMILES for phenol;piperazin-1-amine is NN1CCNCC1.Oc1ccccc1.
What is the InChIKey of phenol;piperazin-1-amine?
The InChIKey is FRSFXJCUQLRRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C4H11N3/c7-6-4-2-1-3-5-6;5-7-3-1-6-2-4-7/h1-5,7H;6H,1-5H2.
What are the key properties of phenol;piperazin-1-amine?
phenol;piperazin-1-amine has a molecular weight of 195.27 g/mol, XLogP of 0.16, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;piperazin-1-amine is sourced from PubChem (CID 174785779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).