2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine

C21H29N5 — CID 146252770

IUPAC2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine
SMILESCC1CN(Cc2ccc(-c3cnc(N4CCCC4)cn3)cc2)CC(C)N1
InChIInChI=1S/C21H29N5/c1-16-13-25(14-17(2)24-16)15-18-5-7-19(8-6-18)20-11-23-21(12-22-20)26-9-3-4-10-26/h5-8,11-12,16-17,24H,3-4,9-10,13-15H2,1-2H3
InChIKeyBWTVZRBGULUXPF-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.93
Rot. Bonds4

About 2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine

2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine (PubChem CID 146252770) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine.

Molecular Properties

Compound Name2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine
PubChem CID146252770
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine
SMILESCC1CN(Cc2ccc(-c3cnc(N4CCCC4)cn3)cc2)CC(C)N1
InChIInChI=1S/C21H29N5/c1-16-13-25(14-17(2)24-16)15-18-5-7-19(8-6-18)20-11-23-21(12-22-20)26-9-3-4-10-26/h5-8,11-12,16-17,24H,3-4,9-10,13-15H2,1-2H3
InChIKeyBWTVZRBGULUXPF-UHFFFAOYSA-N
XLogP2.93
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine?
The IUPAC name of 2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine (CID 146252770) is 2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine.
What is the SMILES notation for 2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine?
The canonical SMILES for 2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine is CC1CN(Cc2ccc(-c3cnc(N4CCCC4)cn3)cc2)CC(C)N1.
What is the InChIKey of 2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine?
The InChIKey is BWTVZRBGULUXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-16-13-25(14-17(2)24-16)15-18-5-7-19(8-6-18)20-11-23-21(12-22-20)26-9-3-4-10-26/h5-8,11-12,16-17,24H,3-4,9-10,13-15H2,1-2H3.
What are the key properties of 2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine?
2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine has a molecular weight of 351.50 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-5-pyrrolidin-1-ylpyrazine is sourced from PubChem (CID 146252770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).