N-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline

C22H27N5O2 — CID 23509562

IUPACN-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline
SMILESC1=CN(N2CCNCC2)C(OCCOc2cccc(Nc3ccccc3)c2)=CN1
InChIInChI=1S/C22H27N5O2/c1-2-5-19(6-3-1)25-20-7-4-8-21(17-20)28-15-16-29-22-18-24-11-14-27(22)26-12-9-23-10-13-26/h1-8,11,14,17-18,23-25H,9-10,12-13,15-16H2
InChIKeyVXOYIAMWVIULQU-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.82
Rot. Bonds8

About N-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline

N-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline (PubChem CID 23509562) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline.

Molecular Properties

Compound NameN-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline
PubChem CID23509562
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline
SMILESC1=CN(N2CCNCC2)C(OCCOc2cccc(Nc3ccccc3)c2)=CN1
InChIInChI=1S/C22H27N5O2/c1-2-5-19(6-3-1)25-20-7-4-8-21(17-20)28-15-16-29-22-18-24-11-14-27(22)26-12-9-23-10-13-26/h1-8,11,14,17-18,23-25H,9-10,12-13,15-16H2
InChIKeyVXOYIAMWVIULQU-UHFFFAOYSA-N
XLogP2.82
TPSA61.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-3-[2-(3-piperazin-1-ylpyrazin-2-yl)oxyethoxy]aniline
CID 22036521
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
N-phenyl-3-propoxyaniline
CID 71334741
1-methylpiperazine;N-phenylaniline
CID 161010175
2-piperazin-1-yl-N-(3-propoxyphenyl)acetamide
CID 60851959
3-hexoxy-N-(4-phenylphenyl)aniline
CID 90222153
1-(3-phenoxypropyl)piperazine
CID 2760351
N-[3-(2-methoxyethoxy)phenyl]pyrrolidin-3-amine
CID 79731567
4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022
3-(2-phenoxyethoxy)-N-[[3-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54800842
2-(3-propoxyanilino)benzoic acid
CID 154130973
1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
CID 4279742

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline?
The IUPAC name of N-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline (CID 23509562) is N-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline.
What is the SMILES notation for N-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline?
The canonical SMILES for N-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline is C1=CN(N2CCNCC2)C(OCCOc2cccc(Nc3ccccc3)c2)=CN1.
What is the InChIKey of N-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline?
The InChIKey is VXOYIAMWVIULQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-2-5-19(6-3-1)25-20-7-4-8-21(17-20)28-15-16-29-22-18-24-11-14-27(22)26-12-9-23-10-13-26/h1-8,11,14,17-18,23-25H,9-10,12-13,15-16H2.
What are the key properties of N-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline?
N-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline has a molecular weight of 393.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[2-[(4-piperazin-1-yl-1H-pyrazin-3-yl)oxy]ethoxy]aniline is sourced from PubChem (CID 23509562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).