2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile

C16H24N4 — CID 65257131

IUPAC2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile
SMILESCC(C)(C#N)CCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H24N4/c1-16(2,14-17)7-5-9-19-10-12-20(13-11-19)15-6-3-4-8-18-15/h3-4,6,8H,5,7,9-13H2,1-2H3
InChIKeyRFUACXOFPZSZKD-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.53
Rot. Bonds5

About 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile

2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile (PubChem CID 65257131) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile
PubChem CID65257131
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile
SMILESCC(C)(C#N)CCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H24N4/c1-16(2,14-17)7-5-9-19-10-12-20(13-11-19)15-6-3-4-8-18-15/h3-4,6,8H,5,7,9-13H2,1-2H3
InChIKeyRFUACXOFPZSZKD-UHFFFAOYSA-N
XLogP2.53
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanenitrile
CID 65257940
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
methyl 2-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate
CID 15515472
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
5-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpentanenitrile
CID 65257938
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine
CID 62625122
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
CID 60860602

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile (CID 65257131) is 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile is CC(C)(C#N)CCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile?
The InChIKey is RFUACXOFPZSZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-16(2,14-17)7-5-9-19-10-12-20(13-11-19)15-6-3-4-8-18-15/h3-4,6,8H,5,7,9-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile?
2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile has a molecular weight of 272.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile is sourced from PubChem (CID 65257131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).