(2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine

C13H19ClN2 — CID 42079394

IUPAC(2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine
SMILESCc1c(Cl)cccc1N1[C@H](C)CNC[C@H]1C
InChIInChI=1S/C13H19ClN2/c1-9-7-15-8-10(2)16(9)13-6-4-5-12(14)11(13)3/h4-6,9-10,15H,7-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyKPIUJOCQDXHOQX-NXEZZACHSA-N
MW238.76 g/mol
LogP2.84
Rot. Bonds1

About (2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine

(2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine (PubChem CID 42079394) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is (2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine.

Molecular Properties

Compound Name(2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine
PubChem CID42079394
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name(2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine
SMILESCc1c(Cl)cccc1N1[C@H](C)CNC[C@H]1C
InChIInChI=1S/C13H19ClN2/c1-9-7-15-8-10(2)16(9)13-6-4-5-12(14)11(13)3/h4-6,9-10,15H,7-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyKPIUJOCQDXHOQX-NXEZZACHSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine?
The IUPAC name of (2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine (CID 42079394) is (2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine.
What is the SMILES notation for (2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine?
The canonical SMILES for (2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine is Cc1c(Cl)cccc1N1[C@H](C)CNC[C@H]1C.
What is the InChIKey of (2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine?
The InChIKey is KPIUJOCQDXHOQX-NXEZZACHSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-9-7-15-8-10(2)16(9)13-6-4-5-12(14)11(13)3/h4-6,9-10,15H,7-8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine?
(2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine has a molecular weight of 238.76 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine is sourced from PubChem (CID 42079394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).