6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile

C20H24N4 — CID 133435807

IUPAC6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCCCC1CN(c2ccc(C#N)cn2)CCN1Cc1ccccc1
InChIInChI=1S/C20H24N4/c1-2-6-19-16-24(20-10-9-18(13-21)14-22-20)12-11-23(19)15-17-7-4-3-5-8-17/h3-5,7-10,14,19H,2,6,11-12,15-16H2,1H3
InChIKeyZEWRGRZAELMUCZ-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.44
Rot. Bonds5

About 6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile

6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 133435807) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID133435807
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCCCC1CN(c2ccc(C#N)cn2)CCN1Cc1ccccc1
InChIInChI=1S/C20H24N4/c1-2-6-19-16-24(20-10-9-18(13-21)14-22-20)12-11-23(19)15-17-7-4-3-5-8-17/h3-5,7-10,14,19H,2,6,11-12,15-16H2,1H3
InChIKeyZEWRGRZAELMUCZ-UHFFFAOYSA-N
XLogP3.44
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile (CID 133435807) is 6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile is CCCC1CN(c2ccc(C#N)cn2)CCN1Cc1ccccc1.
What is the InChIKey of 6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is ZEWRGRZAELMUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-2-6-19-16-24(20-10-9-18(13-21)14-22-20)12-11-23(19)15-17-7-4-3-5-8-17/h3-5,7-10,14,19H,2,6,11-12,15-16H2,1H3.
What are the key properties of 6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile?
6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 320.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzyl-3-propylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 133435807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).