1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine

C13H18Cl2N2 — CID 64979055

IUPAC1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine
SMILESCC1CN(Cc2cccc(Cl)c2Cl)C(C)CN1
InChIInChI=1S/C13H18Cl2N2/c1-9-7-17(10(2)6-16-9)8-11-4-3-5-12(14)13(11)15/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyJQNWMJYYFKUYIA-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.18
Rot. Bonds2

About 1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine

1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine (PubChem CID 64979055) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine
PubChem CID64979055
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine
SMILESCC1CN(Cc2cccc(Cl)c2Cl)C(C)CN1
InChIInChI=1S/C13H18Cl2N2/c1-9-7-17(10(2)6-16-9)8-11-4-3-5-12(14)13(11)15/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyJQNWMJYYFKUYIA-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
1-[(3-chloro-2-fluorophenyl)methyl]-3,7-dimethyl-1,4-diazepane
CID 102862804
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
1-[(5-chloro-2-fluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906190
5-tert-butyl-1-[(2-chlorophenyl)methyl]-2-methylpiperazine
CID 64842975
1-[(2,3-dichlorophenyl)methyl]-2-methylpyrrolidine
CID 141023901
5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine
CID 107310519
2,5-dicyclopropyl-1-[(2,3-dichlorophenyl)methyl]piperazine
CID 107310522
1-[(2,3-dichlorophenyl)methyl]-3,3,7-trimethyl-1,4-diazepane
CID 107310541
2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
CID 114702065
2-chloro-N-[3-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]benzamide
CID 120905897
1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 64980595

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine (CID 64979055) is 1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine is CC1CN(Cc2cccc(Cl)c2Cl)C(C)CN1.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine?
The InChIKey is JQNWMJYYFKUYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-9-7-17(10(2)6-16-9)8-11-4-3-5-12(14)13(11)15/h3-5,9-10,16H,6-8H2,1-2H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine?
1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine has a molecular weight of 273.21 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 64979055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).