5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline

C22H25N3 — CID 20644634

IUPAC5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline
SMILESCC1CN(c2cccc3ncccc23)CC(C)N1Cc1ccccc1
InChIInChI=1S/C22H25N3/c1-17-14-24(22-12-6-11-21-20(22)10-7-13-23-21)15-18(2)25(17)16-19-8-4-3-5-9-19/h3-13,17-18H,14-16H2,1-2H3
InChIKeyDGRQUSRKCUIFJJ-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.33
Rot. Bonds3

About 5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline

5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline (PubChem CID 20644634) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline.

Molecular Properties

Compound Name5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline
PubChem CID20644634
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline
SMILESCC1CN(c2cccc3ncccc23)CC(C)N1Cc1ccccc1
InChIInChI=1S/C22H25N3/c1-17-14-24(22-12-6-11-21-20(22)10-7-13-23-21)15-18(2)25(17)16-19-8-4-3-5-9-19/h3-13,17-18H,14-16H2,1-2H3
InChIKeyDGRQUSRKCUIFJJ-UHFFFAOYSA-N
XLogP4.33
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline?
The IUPAC name of 5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline (CID 20644634) is 5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline.
What is the SMILES notation for 5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline?
The canonical SMILES for 5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline is CC1CN(c2cccc3ncccc23)CC(C)N1Cc1ccccc1.
What is the InChIKey of 5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline?
The InChIKey is DGRQUSRKCUIFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-17-14-24(22-12-6-11-21-20(22)10-7-13-23-21)15-18(2)25(17)16-19-8-4-3-5-9-19/h3-13,17-18H,14-16H2,1-2H3.
What are the key properties of 5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline?
5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline has a molecular weight of 331.46 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzyl-3,5-dimethylpiperazin-1-yl)quinoline is sourced from PubChem (CID 20644634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).