N-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine

C16H21N5O — CID 22036375

IUPACN-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine
SMILESc1ccc(OCCNc2nccnc2N2CCNCC2)cc1
InChIInChI=1S/C16H21N5O/c1-2-4-14(5-3-1)22-13-10-19-15-16(20-7-6-18-15)21-11-8-17-9-12-21/h1-7,17H,8-13H2,(H,18,19)
InChIKeyXRWWFJMGUSXPMG-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.38
Rot. Bonds6

About N-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine

N-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine (PubChem CID 22036375) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine
PubChem CID22036375
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine
SMILESc1ccc(OCCNc2nccnc2N2CCNCC2)cc1
InChIInChI=1S/C16H21N5O/c1-2-4-14(5-3-1)22-13-10-19-15-16(20-7-6-18-15)21-11-8-17-9-12-21/h1-7,17H,8-13H2,(H,18,19)
InChIKeyXRWWFJMGUSXPMG-UHFFFAOYSA-N
XLogP1.38
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine?
The IUPAC name of N-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine (CID 22036375) is N-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine.
What is the SMILES notation for N-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine?
The canonical SMILES for N-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine is c1ccc(OCCNc2nccnc2N2CCNCC2)cc1.
What is the InChIKey of N-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine?
The InChIKey is XRWWFJMGUSXPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-4-14(5-3-1)22-13-10-19-15-16(20-7-6-18-15)21-11-8-17-9-12-21/h1-7,17H,8-13H2,(H,18,19).
What are the key properties of N-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine?
N-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine has a molecular weight of 299.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-3-piperazin-1-ylpyrazin-2-amine is sourced from PubChem (CID 22036375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).