2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile

C12H15ClN4 — CID 63343573

IUPAC2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C12H15ClN4/c1-10(9-14)16-5-7-17(8-6-16)12-11(13)3-2-4-15-12/h2-4,10H,5-8H2,1H3
InChIKeyJGGWZGSXMHZVQC-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.77
Rot. Bonds2

About 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile

2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile (PubChem CID 63343573) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile
PubChem CID63343573
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile
SMILESCC(C#N)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C12H15ClN4/c1-10(9-14)16-5-7-17(8-6-16)12-11(13)3-2-4-15-12/h2-4,10H,5-8H2,1H3
InChIKeyJGGWZGSXMHZVQC-UHFFFAOYSA-N
XLogP1.77
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile (CID 63343573) is 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile is CC(C#N)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile?
The InChIKey is JGGWZGSXMHZVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-10(9-14)16-5-7-17(8-6-16)12-11(13)3-2-4-15-12/h2-4,10H,5-8H2,1H3.
What are the key properties of 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile?
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile has a molecular weight of 250.73 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 63343573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).