2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine

C22H23ClN4O2 — CID 6482826

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine
SMILESCOc1cccc(-c2cncc(N3CCN(c4cccc(Cl)c4)CC3)n2)c1OC
InChIInChI=1S/C22H23ClN4O2/c1-28-20-8-4-7-18(22(20)29-2)19-14-24-15-21(25-19)27-11-9-26(10-12-27)17-6-3-5-16(23)13-17/h3-8,13-15H,9-12H2,1-2H3
InChIKeyUZBZRNBFVJPQNC-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.14
Rot. Bonds5

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine

2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine (PubChem CID 6482826) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine
PubChem CID6482826
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine
SMILESCOc1cccc(-c2cncc(N3CCN(c4cccc(Cl)c4)CC3)n2)c1OC
InChIInChI=1S/C22H23ClN4O2/c1-28-20-8-4-7-18(22(20)29-2)19-14-24-15-21(25-19)27-11-9-26(10-12-27)17-6-3-5-16(23)13-17/h3-8,13-15H,9-12H2,1-2H3
InChIKeyUZBZRNBFVJPQNC-UHFFFAOYSA-N
XLogP4.14
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 78988842
1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203423
2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine
CID 6482650
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 1325664
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
4-[4-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-(trifluoromethyl)quinazoline
CID 21003432
3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945819
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958922
1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 63960873
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 2683207
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenyl)ethanamine
CID 9161262

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine (CID 6482826) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine is COc1cccc(-c2cncc(N3CCN(c4cccc(Cl)c4)CC3)n2)c1OC.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine?
The InChIKey is UZBZRNBFVJPQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-28-20-8-4-7-18(22(20)29-2)19-14-24-15-21(25-19)27-11-9-26(10-12-27)17-6-3-5-16(23)13-17/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine?
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine has a molecular weight of 410.91 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-6-(2,3-dimethoxyphenyl)pyrazine is sourced from PubChem (CID 6482826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).