(2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine

C13H20N2 — CID 27311881

IUPAC(2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1[C@H](C)CNC[C@@H]1C
InChIInChI=1S/C13H20N2/c1-10-6-4-5-7-13(10)15-11(2)8-14-9-12(15)3/h4-7,11-12,14H,8-9H2,1-3H3/t11-,12+
InChIKeyNDHVNJMTOCZUEU-TXEJJXNPSA-N
MW204.32 g/mol
LogP2.18
Rot. Bonds1

About (2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine

(2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine (PubChem CID 27311881) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine
PubChem CID27311881
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine
SMILESCc1ccccc1N1[C@H](C)CNC[C@@H]1C
InChIInChI=1S/C13H20N2/c1-10-6-4-5-7-13(10)15-11(2)8-14-9-12(15)3/h4-7,11-12,14H,8-9H2,1-3H3/t11-,12+
InChIKeyNDHVNJMTOCZUEU-TXEJJXNPSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,6R)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine
CID 42079394
(2S,6S)-1-(3-chloro-2-methylphenyl)-2,6-dimethylpiperazine
CID 42079396
(6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one
CID 96582225
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
(4R,10R,10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
CID 69414333
(10aR)-4,6,10-trimethyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole
CID 70004822
2,6-dimethyl-1-(4-methylphenyl)piperazine;ethane
CID 142385882
1-(2-methylphenyl)diazetidine;hydrate
CID 142118290
[4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 63716005
5-ethyl-2,5-dimethyl-1-(2-methylphenyl)piperazine
CID 64930880
5-methyl-1-(2-methylphenyl)-4,5-dihydroimidazol-2-amine
CID 79505477
(11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454239

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine?
The IUPAC name of (2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine (CID 27311881) is (2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine is Cc1ccccc1N1[C@H](C)CNC[C@@H]1C.
What is the InChIKey of (2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine?
The InChIKey is NDHVNJMTOCZUEU-TXEJJXNPSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-6-4-5-7-13(10)15-11(2)8-14-9-12(15)3/h4-7,11-12,14H,8-9H2,1-3H3/t11-,12+.
What are the key properties of (2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine?
(2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine has a molecular weight of 204.32 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine is sourced from PubChem (CID 27311881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).