1-(5-chloro-2-methylphenyl)piperazine

C11H15ClN2 — CID 693767

IUPAC1-(5-chloro-2-methylphenyl)piperazine
SMILESCc1ccc(Cl)cc1N1CCNCC1
InChIInChI=1S/C11H15ClN2/c1-9-2-3-10(12)8-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeyFVDJRHNUZNLRJC-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.06
Rot. Bonds1

About 1-(5-chloro-2-methylphenyl)piperazine

1-(5-chloro-2-methylphenyl)piperazine (PubChem CID 693767) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)piperazine
PubChem CID693767
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name1-(5-chloro-2-methylphenyl)piperazine
SMILESCc1ccc(Cl)cc1N1CCNCC1
InChIInChI=1S/C11H15ClN2/c1-9-2-3-10(12)8-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeyFVDJRHNUZNLRJC-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 82486515
1-(5-chloro-2-ethylsulfanylphenyl)piperazine
CID 82017709
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
(4-chloro-2-piperazin-1-ylphenyl)methanamine
CID 63082137
(4-methyl-3-piperazin-1-ylphenyl)methanol
CID 84779191
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
4-(5-chloro-2-methylphenyl)-1,4-diazocan-5-one
CID 117015369
1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
1-(5-bromo-2-methylphenyl)-1,4-diazepane
CID 64943208
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483
1-(5-chloro-2-methylphenyl)piperazine-2-carboxylic acid
CID 83488497
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-methylpyrimidine
CID 163352025

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)piperazine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)piperazine (CID 693767) is 1-(5-chloro-2-methylphenyl)piperazine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)piperazine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)piperazine is Cc1ccc(Cl)cc1N1CCNCC1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)piperazine?
The InChIKey is FVDJRHNUZNLRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-9-2-3-10(12)8-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)piperazine?
1-(5-chloro-2-methylphenyl)piperazine has a molecular weight of 210.71 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)piperazine is sourced from PubChem (CID 693767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).