2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile

C15H22N4 — CID 63343513

IUPAC2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C15H22N4/c1-3-4-14(11-16)18-7-9-19(10-8-18)15-6-5-13(2)12-17-15/h5-6,12,14H,3-4,7-10H2,1-2H3
InChIKeyMVKLIIPXQGTZSH-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.20
Rot. Bonds4

About 2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile

2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile (PubChem CID 63343513) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile.

Molecular Properties

Compound Name2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile
PubChem CID63343513
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile
SMILESCCCC(C#N)N1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C15H22N4/c1-3-4-14(11-16)18-7-9-19(10-8-18)15-6-5-13(2)12-17-15/h5-6,12,14H,3-4,7-10H2,1-2H3
InChIKeyMVKLIIPXQGTZSH-UHFFFAOYSA-N
XLogP2.20
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile?
The IUPAC name of 2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile (CID 63343513) is 2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile.
What is the SMILES notation for 2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile?
The canonical SMILES for 2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile is CCCC(C#N)N1CCN(c2ccc(C)cn2)CC1.
What is the InChIKey of 2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile?
The InChIKey is MVKLIIPXQGTZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-4-14(11-16)18-7-9-19(10-8-18)15-6-5-13(2)12-17-15/h5-6,12,14H,3-4,7-10H2,1-2H3.
What are the key properties of 2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile?
2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile has a molecular weight of 258.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]pentanenitrile is sourced from PubChem (CID 63343513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).