1-(4-chlorophenyl)-3,5-dimethylpiperazine

C12H17ClN2 — CID 22633049

IUPAC1-(4-chlorophenyl)-3,5-dimethylpiperazine
SMILESCC1CN(c2ccc(Cl)cc2)CC(C)N1
InChIInChI=1S/C12H17ClN2/c1-9-7-15(8-10(2)14-9)12-5-3-11(13)4-6-12/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeySEUASGUGSYDLSU-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.53
Rot. Bonds1

About 1-(4-chlorophenyl)-3,5-dimethylpiperazine

1-(4-chlorophenyl)-3,5-dimethylpiperazine (PubChem CID 22633049) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3,5-dimethylpiperazine
PubChem CID22633049
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-(4-chlorophenyl)-3,5-dimethylpiperazine
SMILESCC1CN(c2ccc(Cl)cc2)CC(C)N1
InChIInChI=1S/C12H17ClN2/c1-9-7-15(8-10(2)14-9)12-5-3-11(13)4-6-12/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeySEUASGUGSYDLSU-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

(3S,5S)-3,5-dimethyl-1-(4-methylphenyl)piperazine
CID 95438756
(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol
CID 95562583
1-(4-chlorophenyl)-N-methylazetidin-3-amine
CID 117002912
(3S,5R)-1-(3-bromo-4-chlorophenyl)-3,5-dimethylpiperazine;hydrochloride
CID 68961411
4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]benzoic acid
CID 69043064
1-[4-(2-methoxyethoxy)phenyl]-3,5-dimethylpiperazine
CID 146327708
1-(4-chlorophenyl)-2,5-dimethylpiperazine
CID 11572115
N-[(4-chlorophenyl)methyl]-1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 110823411
1-[3-(4-chlorophenoxy)propyl]-3,5-dimethylpiperazine
CID 63872390
(3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine
CID 135253699
(3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine
CID 146646153
(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine
CID 166093392

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3,5-dimethylpiperazine?
The IUPAC name of 1-(4-chlorophenyl)-3,5-dimethylpiperazine (CID 22633049) is 1-(4-chlorophenyl)-3,5-dimethylpiperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-3,5-dimethylpiperazine?
The canonical SMILES for 1-(4-chlorophenyl)-3,5-dimethylpiperazine is CC1CN(c2ccc(Cl)cc2)CC(C)N1.
What is the InChIKey of 1-(4-chlorophenyl)-3,5-dimethylpiperazine?
The InChIKey is SEUASGUGSYDLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-7-15(8-10(2)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)-3,5-dimethylpiperazine?
1-(4-chlorophenyl)-3,5-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)-3,5-dimethylpiperazine is sourced from PubChem (CID 22633049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).