1-(4-chlorophenyl)-2,5-dimethylpiperazine

C12H17ClN2 — CID 11572115

IUPAC1-(4-chlorophenyl)-2,5-dimethylpiperazine
SMILESCC1CN(c2ccc(Cl)cc2)C(C)CN1
InChIInChI=1S/C12H17ClN2/c1-9-8-15(10(2)7-14-9)12-5-3-11(13)4-6-12/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyFKRWBIHTHXSCHW-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.53
Rot. Bonds1

About 1-(4-chlorophenyl)-2,5-dimethylpiperazine

1-(4-chlorophenyl)-2,5-dimethylpiperazine (PubChem CID 11572115) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,5-dimethylpiperazine
PubChem CID11572115
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-(4-chlorophenyl)-2,5-dimethylpiperazine
SMILESCC1CN(c2ccc(Cl)cc2)C(C)CN1
InChIInChI=1S/C12H17ClN2/c1-9-8-15(10(2)7-14-9)12-5-3-11(13)4-6-12/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyFKRWBIHTHXSCHW-UHFFFAOYSA-N
XLogP2.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorophenyl)piperazine
CID 1355
1-Phenylpiperazine
CID 7096
1-(2,3-Dichlorophenyl)piperazine
CID 851833
1-(3-Chlorophenyl)piperazine monohydrochloride
CID 25681
1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazinium chloride
CID 13035120
4-Chloro-N-methylbenzenamine
CID 70272
N-(2-(Dimethylamino)ethyl)aniline
CID 81206
1-(4-Chlorophenyl)piperazine
CID 97478
1-(2-Chlorophenyl)piperazine
CID 415628
1-(3-Chlorophenyl)piperazine dihydrochloride
CID 11957487
1,2-Ethanediamine, N1,N1-diethyl-N2-phenyl-
CID 74271
1-Phenylpiperazinium chloride
CID 75164

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,5-dimethylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)-2,5-dimethylpiperazine (CID 11572115) is 1-(4-chlorophenyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-2,5-dimethylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)-2,5-dimethylpiperazine is CC1CN(c2ccc(Cl)cc2)C(C)CN1.
What is the InChIKey of 1-(4-chlorophenyl)-2,5-dimethylpiperazine?
The InChIKey is FKRWBIHTHXSCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-8-15(10(2)7-14-9)12-5-3-11(13)4-6-12/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2,5-dimethylpiperazine?
1-(4-chlorophenyl)-2,5-dimethylpiperazine has a molecular weight of 224.73 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 11572115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).