2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride

C15H23ClN4 — CID 163389782

IUPAC2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride
SMILESCC1(C)CN(c2cc(C(C)(C)C#N)ccn2)CCN1.Cl
InChIInChI=1S/C15H22N4.ClH/c1-14(2,10-16)12-5-6-17-13(9-12)19-8-7-18-15(3,4)11-19;/h5-6,9,18H,7-8,11H2,1-4H3;1H
InChIKeyRHPIFDBVASZMOT-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.49
Rot. Bonds2

About 2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride

2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride (PubChem CID 163389782) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride.

Molecular Properties

Compound Name2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride
PubChem CID163389782
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride
SMILESCC1(C)CN(c2cc(C(C)(C)C#N)ccn2)CCN1.Cl
InChIInChI=1S/C15H22N4.ClH/c1-14(2,10-16)12-5-6-17-13(9-12)19-8-7-18-15(3,4)11-19;/h5-6,9,18H,7-8,11H2,1-4H3;1H
InChIKeyRHPIFDBVASZMOT-UHFFFAOYSA-N
XLogP2.49
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride?
The IUPAC name of 2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride (CID 163389782) is 2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride.
What is the SMILES notation for 2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride?
The canonical SMILES for 2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride is CC1(C)CN(c2cc(C(C)(C)C#N)ccn2)CCN1.Cl.
What is the InChIKey of 2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride?
The InChIKey is RHPIFDBVASZMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4.ClH/c1-14(2,10-16)12-5-6-17-13(9-12)19-8-7-18-15(3,4)11-19;/h5-6,9,18H,7-8,11H2,1-4H3;1H.
What are the key properties of 2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride?
2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethylpiperazin-1-yl)-4-pyridinyl]-2-methylpropanenitrile;hydrochloride is sourced from PubChem (CID 163389782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).