2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride

C16H22Cl2N4 — CID 120755310

IUPAC2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
SMILESCl.Cl.c1cncc(CCN2CCNCC2c2cccnc2)c1
InChIInChI=1S/C16H20N4.2ClH/c1-3-14(11-17-6-1)5-9-20-10-8-19-13-16(20)15-4-2-7-18-12-15;;/h1-4,6-7,11-12,16,19H,5,8-10,13H2;2*1H
InChIKeySFXWYXMRNGGAGI-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.51
Rot. Bonds4

About 2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride

2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride (PubChem CID 120755310) has the molecular formula C16H22Cl2N4 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
PubChem CID120755310
Molecular FormulaC16H22Cl2N4
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
SMILESCl.Cl.c1cncc(CCN2CCNCC2c2cccnc2)c1
InChIInChI=1S/C16H20N4.2ClH/c1-3-14(11-17-6-1)5-9-20-10-8-19-13-16(20)15-4-2-7-18-12-15;;/h1-4,6-7,11-12,16,19H,5,8-10,13H2;2*1H
InChIKeySFXWYXMRNGGAGI-UHFFFAOYSA-N
XLogP2.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-ethylphenyl)ethyl]-2-pyridin-3-ylpiperazine
CID 120755914
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(3-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768370
1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754736
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
N-methyl-N-[2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]aniline
CID 120756006
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
1-(2-benzhydryloxyethyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754776
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride?
The IUPAC name of 2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride (CID 120755310) is 2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride.
What is the SMILES notation for 2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride?
The canonical SMILES for 2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride is Cl.Cl.c1cncc(CCN2CCNCC2c2cccnc2)c1.
What is the InChIKey of 2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride?
The InChIKey is SFXWYXMRNGGAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4.2ClH/c1-3-14(11-17-6-1)5-9-20-10-8-19-13-16(20)15-4-2-7-18-12-15;;/h1-4,6-7,11-12,16,19H,5,8-10,13H2;2*1H.
What are the key properties of 2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride?
2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride has a molecular weight of 341.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride is sourced from PubChem (CID 120755310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).