(2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine

C12H17ClN2 — CID 96808511

IUPAC(2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine
SMILESCc1ccc(N2CCNC[C@H]2C)c(Cl)c1
InChIInChI=1S/C12H17ClN2/c1-9-3-4-12(11(13)7-9)15-6-5-14-8-10(15)2/h3-4,7,10,14H,5-6,8H2,1-2H3/t10-/m1/s1
InChIKeyQRLBMMQEFUYSSY-SNVBAGLBSA-N
MW224.73 g/mol
LogP2.45
Rot. Bonds1

About (2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine

(2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine (PubChem CID 96808511) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is (2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine
PubChem CID96808511
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name(2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine
SMILESCc1ccc(N2CCNC[C@H]2C)c(Cl)c1
InChIInChI=1S/C12H17ClN2/c1-9-3-4-12(11(13)7-9)15-6-5-14-8-10(15)2/h3-4,7,10,14H,5-6,8H2,1-2H3/t10-/m1/s1
InChIKeyQRLBMMQEFUYSSY-SNVBAGLBSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-ethylpiperazine
CID 64931290
ethane;1-(2-methoxy-4-methylphenyl)-2-methylpiperazine
CID 155709453
5-methyl-2-[(2S)-2-methylpiperazin-1-yl]benzonitrile
CID 155201479
(2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine
CID 66835625
1-(3-chloro-4-methylphenyl)-2-methylpiperazine
CID 64939185
(2S)-1-(2,5-dichlorophenyl)-2-methylpiperazine
CID 11492480
1-(2-bromo-4-chlorophenyl)-2-methylpiperazine
CID 81271887
1-(2,4-dichlorophenyl)-2-(4-methylphenyl)piperazine
CID 59261442
1-(4-bromo-2,3-dichlorophenyl)-2-methylpiperazine
CID 107794385
1-(4-bromo-3-chlorophenyl)-2-methylpiperazine
CID 107617353
(2R)-1-(2,6-dichlorophenyl)-2-methylpiperazine
CID 11528873
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine
CID 62672958

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine?
The IUPAC name of (2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine (CID 96808511) is (2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine.
What is the SMILES notation for (2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine?
The canonical SMILES for (2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine is Cc1ccc(N2CCNC[C@H]2C)c(Cl)c1.
What is the InChIKey of (2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine?
The InChIKey is QRLBMMQEFUYSSY-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-3-4-12(11(13)7-9)15-6-5-14-8-10(15)2/h3-4,7,10,14H,5-6,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine?
(2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine has a molecular weight of 224.73 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine is sourced from PubChem (CID 96808511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).