[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride

C15H22Cl4N4O — CID 67158369

IUPAC[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CNCCN1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N4O.2ClH/c16-12-2-1-11(9-13(12)17)20-5-7-21(8-6-20)15(22)14-10-18-3-4-19-14;;/h1-2,9,14,18-19H,3-8,10H2;2*1H
InChIKeyDRJNLYSCDGJZSF-UHFFFAOYSA-N
MW416.18 g/mol
LogP2.05
Rot. Bonds2

About [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride

[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride (PubChem CID 67158369) has the molecular formula C15H22Cl4N4O and a molecular weight of 416.18 g/mol. Its IUPAC name is [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride
PubChem CID67158369
Molecular FormulaC15H22Cl4N4O
Molecular Weight416.18 g/mol
Exact Mass414.05
IUPAC Name[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.O=C(C1CNCCN1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N4O.2ClH/c16-12-2-1-11(9-13(12)17)20-5-7-21(8-6-20)15(22)14-10-18-3-4-19-14;;/h1-2,9,14,18-19H,3-8,10H2;2*1H
InChIKeyDRJNLYSCDGJZSF-UHFFFAOYSA-N
XLogP2.05
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.18
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;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

[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane
CID 143492010
[(2R)-4-(1-cyclopropylethyl)piperazin-2-yl]-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 141317150
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone
CID 59846080
N-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]piperazine-2-carboxamide
CID 177062410
[(3S)-1-cyclopropylpiperidin-3-yl]-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone;[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 69129036
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[(2S)-morpholin-2-yl]ethanone
CID 97143351
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
azocan-1-yl(piperazin-2-yl)methanone
CID 63104167
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(4R)-3-methyl-1,3-thiazolidin-4-yl]methanone
CID 72857510
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
CID 141317152
4-(3,4-dichlorophenyl)-N-ethylpiperazine-1-carboxamide
CID 3323200

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride?
The IUPAC name of [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride (CID 67158369) is [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride is Cl.Cl.O=C(C1CNCCN1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride?
The InChIKey is DRJNLYSCDGJZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N4O.2ClH/c16-12-2-1-11(9-13(12)17)20-5-7-21(8-6-20)15(22)14-10-18-3-4-19-14;;/h1-2,9,14,18-19H,3-8,10H2;2*1H.
What are the key properties of [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride?
[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride has a molecular weight of 416.18 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 67158369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).