1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine

C13H18Cl2N2 — CID 782939

IUPAC1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2/c1-2-16-6-8-17(9-7-16)10-11-12(14)4-3-5-13(11)15/h3-5H,2,6-10H2,1H3
InChIKeyAMBYHGFIECWSSH-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.13
Rot. Bonds3

About 1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine

1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine (PubChem CID 782939) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine
PubChem CID782939
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C13H18Cl2N2/c1-2-16-6-8-17(9-7-16)10-11-12(14)4-3-5-13(11)15/h3-5H,2,6-10H2,1H3
InChIKeyAMBYHGFIECWSSH-UHFFFAOYSA-N
XLogP3.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Chlorcyclizine Hydrochloride
CID 62413
1-(3-Chlorobenzyl)piperazine
CID 764727
Piperazine, 1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CID 20437422
1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
CID 677773
Chlorcyclizine, (R)-
CID 688438
4-Chlorobenzylpiperazine
CID 134826
Benzenemethanamine, 2,6-dichloro-N-methyl-
CID 485433
1-((2-Chlorophenyl)methyl)piperazine
CID 580769
1-Benzyl-4-(3-chlorobenzyl)piperazine
CID 765219
1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
CID 10782419
4-(2,4-Dichlorobenzyl)thiomorpholine
CID 1377068

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine (CID 782939) is 1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine is CCN1CCN(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine?
The InChIKey is AMBYHGFIECWSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-2-16-6-8-17(9-7-16)10-11-12(14)4-3-5-13(11)15/h3-5H,2,6-10H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine?
1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine has a molecular weight of 273.21 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-4-ethylpiperazine is sourced from PubChem (CID 782939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).