1-[(2-chlorophenyl)methyl]piperazine;hydrochloride

C11H16Cl2N2 — CID 16809325

IUPAC1-[(2-chlorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Clc1ccccc1CN1CCNCC1
InChIInChI=1S/C11H15ClN2.ClH/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14;/h1-4,13H,5-9H2;1H
InChIKeyOVVARYZAMVDNDQ-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.17
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]piperazine;hydrochloride

1-[(2-chlorophenyl)methyl]piperazine;hydrochloride (PubChem CID 16809325) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]piperazine;hydrochloride
PubChem CID16809325
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name1-[(2-chlorophenyl)methyl]piperazine;hydrochloride
SMILESCl.Clc1ccccc1CN1CCNCC1
InChIInChI=1S/C11H15ClN2.ClH/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14;/h1-4,13H,5-9H2;1H
InChIKeyOVVARYZAMVDNDQ-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[(2-chlorophenyl)methyl]piperazine;hydrochloride (CID 16809325) is 1-[(2-chlorophenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]piperazine;hydrochloride is Cl.Clc1ccccc1CN1CCNCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]piperazine;hydrochloride?
The InChIKey is OVVARYZAMVDNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2.ClH/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14;/h1-4,13H,5-9H2;1H.
What are the key properties of 1-[(2-chlorophenyl)methyl]piperazine;hydrochloride?
1-[(2-chlorophenyl)methyl]piperazine;hydrochloride has a molecular weight of 247.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 16809325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).