1-(2-chlorophenyl)piperazine

C20H26Cl2N4 — CID 162116490

IUPAC1-(2-chlorophenyl)piperazine
SMILESClc1ccccc1N1CCNCC1.Clc1ccccc1N1CCNCC1
InChIInChI=1S/2C10H13ClN2/c2*11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h2*1-4,12H,5-8H2
InChIKeyZGVHJZASCMUYJS-UHFFFAOYSA-N
MW393.36 g/mol
LogP3.50
Rot. Bonds2

About 1-(2-chlorophenyl)piperazine

1-(2-chlorophenyl)piperazine (PubChem CID 162116490) has the molecular formula C20H26Cl2N4 and a molecular weight of 393.36 g/mol. Its IUPAC name is 1-(2-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)piperazine
PubChem CID162116490
Molecular FormulaC20H26Cl2N4
Molecular Weight393.36 g/mol
Exact Mass392.15
IUPAC Name1-(2-chlorophenyl)piperazine
SMILESClc1ccccc1N1CCNCC1.Clc1ccccc1N1CCNCC1
InChIInChI=1S/2C10H13ClN2/c2*11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h2*1-4,12H,5-8H2
InChIKeyZGVHJZASCMUYJS-UHFFFAOYSA-N
XLogP3.50
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride
CID 157420030
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-(2-bromo-3-chlorophenyl)piperazine
CID 83744852
2-chloro-6-piperazin-1-ylphenol
CID 131297949
1-(2-bromo-3-chlorophenyl)-1,4-diazepane
CID 103481679
1-[1-(2-chlorophenyl)-5-cyclopropylpyrazol-4-yl]piperazine
CID 117210825
1-(2-chlorophenyl)-1,4-diazocan-5-one
CID 117015458
4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211243
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-4-ylmethanone;dihydrochloride
CID 119827691
1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine
CID 22335016
3-chloro-2-piperazin-1-ylphenol
CID 84679423

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)piperazine?
The IUPAC name of 1-(2-chlorophenyl)piperazine (CID 162116490) is 1-(2-chlorophenyl)piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)piperazine?
The canonical SMILES for 1-(2-chlorophenyl)piperazine is Clc1ccccc1N1CCNCC1.Clc1ccccc1N1CCNCC1.
What is the InChIKey of 1-(2-chlorophenyl)piperazine?
The InChIKey is ZGVHJZASCMUYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13ClN2/c2*11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h2*1-4,12H,5-8H2.
What are the key properties of 1-(2-chlorophenyl)piperazine?
1-(2-chlorophenyl)piperazine has a molecular weight of 393.36 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)piperazine is sourced from PubChem (CID 162116490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).