2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride

C11H16ClN3S — CID 45261293

IUPAC2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride
SMILESCN1CCN(C(C#N)c2cccs2)CC1.Cl
InChIInChI=1S/C11H15N3S.ClH/c1-13-4-6-14(7-5-13)10(9-12)11-3-2-8-15-11;/h2-3,8,10H,4-7H2,1H3;1H
InChIKeyNGTWVRHKEZOPOO-UHFFFAOYSA-N
MW257.79 g/mol
LogP1.98
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride

2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride (PubChem CID 45261293) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride
PubChem CID45261293
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC Name2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride
SMILESCN1CCN(C(C#N)c2cccs2)CC1.Cl
InChIInChI=1S/C11H15N3S.ClH/c1-13-4-6-14(7-5-13)10(9-12)11-3-2-8-15-11;/h2-3,8,10H,4-7H2,1H3;1H
InChIKeyNGTWVRHKEZOPOO-UHFFFAOYSA-N
XLogP1.98
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-piperazin-1-yl-2-thiophen-2-ylacetonitrile
CID 8893243
2-(4-butanoylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile
CID 110349388
2-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349496
2-[4-(pyridine-4-carbonyl)piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349439
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349415
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349466
2-[cyano-(4-methylpiperazin-1-yl)methyl]benzonitrile
CID 114018015
2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349417
2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 51064468
2-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349425
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349497
2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349488

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride (CID 45261293) is 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride is CN1CCN(C(C#N)c2cccs2)CC1.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride?
The InChIKey is NGTWVRHKEZOPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S.ClH/c1-13-4-6-14(7-5-13)10(9-12)11-3-2-8-15-11;/h2-3,8,10H,4-7H2,1H3;1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride?
2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride has a molecular weight of 257.79 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylacetonitrile;hydrochloride is sourced from PubChem (CID 45261293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).