2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile

C14H20N4 — CID 112540480

IUPAC2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile
SMILESCCN1CCN(C(C#N)c2ccncc2)C(C)C1
InChIInChI=1S/C14H20N4/c1-3-17-8-9-18(12(2)11-17)14(10-15)13-4-6-16-7-5-13/h4-7,12,14H,3,8-9,11H2,1-2H3
InChIKeyWRUNWQWKEQTTAP-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.67
Rot. Bonds3

About 2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile

2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile (PubChem CID 112540480) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile
PubChem CID112540480
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile
SMILESCCN1CCN(C(C#N)c2ccncc2)C(C)C1
InChIInChI=1S/C14H20N4/c1-3-17-8-9-18(12(2)11-17)14(10-15)13-4-6-16-7-5-13/h4-7,12,14H,3,8-9,11H2,1-2H3
InChIKeyWRUNWQWKEQTTAP-UHFFFAOYSA-N
XLogP1.67
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)acetonitrile
CID 112539251
2-(4-ethyl-2-methylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 112539830
2-(3-chloro-4-propoxyphenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)acetonitrile
CID 112540314
2-(2,4-diethylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)acetonitrile
CID 112540085
2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)acetic acid
CID 83977850
N-(1-ethylpyrrolidin-3-yl)pyridin-4-amine
CID 131114952
2-(3-chloro-4-hydroxyphenyl)-2-(2,4-dimethylpiperazin-1-yl)acetonitrile
CID 112540199
2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol
CID 112539285
1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid
CID 82020132
2-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 83978229
2-(3,4-dichlorophenyl)-2-(2-ethyl-4-methylpiperazin-1-yl)acetonitrile
CID 112539707
2-(3-chloro-4-ethoxyphenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanamine
CID 83979851

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile?
The IUPAC name of 2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile (CID 112540480) is 2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile.
What is the SMILES notation for 2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile?
The canonical SMILES for 2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile is CCN1CCN(C(C#N)c2ccncc2)C(C)C1.
What is the InChIKey of 2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile?
The InChIKey is WRUNWQWKEQTTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-17-8-9-18(12(2)11-17)14(10-15)13-4-6-16-7-5-13/h4-7,12,14H,3,8-9,11H2,1-2H3.
What are the key properties of 2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile?
2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile has a molecular weight of 244.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile is sourced from PubChem (CID 112540480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).