1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride

C21H28Cl3N3 — CID 157420030

IUPAC1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride
SMILESCl.Clc1ccccc1N1CCCCC1.Clc1ccccc1N1CCNCC1
InChIInChI=1S/C11H14ClN.C10H13ClN2.ClH/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13;11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h2-3,6-7H,1,4-5,8-9H2;1-4,12H,5-8H2;1H
InChIKeyWEJCOFGMNDOXIG-UHFFFAOYSA-N
MW428.84 g/mol
LogP5.50
Rot. Bonds2

About 1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride

1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride (PubChem CID 157420030) has the molecular formula C21H28Cl3N3 and a molecular weight of 428.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride
PubChem CID157420030
Molecular FormulaC21H28Cl3N3
Molecular Weight428.84 g/mol
Exact Mass427.13
IUPAC Name1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride
SMILESCl.Clc1ccccc1N1CCCCC1.Clc1ccccc1N1CCNCC1
InChIInChI=1S/C11H14ClN.C10H13ClN2.ClH/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13;11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h2-3,6-7H,1,4-5,8-9H2;1-4,12H,5-8H2;1H
InChIKeyWEJCOFGMNDOXIG-UHFFFAOYSA-N
XLogP5.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.84
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride (CID 157420030) is 1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride is Cl.Clc1ccccc1N1CCCCC1.Clc1ccccc1N1CCNCC1.
What is the InChIKey of 1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride?
The InChIKey is WEJCOFGMNDOXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN.C10H13ClN2.ClH/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13;11-9-3-1-2-4-10(9)13-7-5-12-6-8-13;/h2-3,6-7H,1,4-5,8-9H2;1-4,12H,5-8H2;1H.
What are the key properties of 1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride?
1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride has a molecular weight of 428.84 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride is sourced from PubChem (CID 157420030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).