(2S)-1,2-dimethyl-6-phenylpiperazine

C12H18N2 — CID 82403795

IUPAC(2S)-1,2-dimethyl-6-phenylpiperazine
SMILESC[C@H]1CNCC(c2ccccc2)N1C
InChIInChI=1S/C12H18N2/c1-10-8-13-9-12(14(10)2)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t10-,12?/m0/s1
InChIKeyQRDIEDACRBAHOS-NUHJPDEHSA-N
MW190.29 g/mol
LogP1.65
Rot. Bonds1

About (2S)-1,2-dimethyl-6-phenylpiperazine

(2S)-1,2-dimethyl-6-phenylpiperazine (PubChem CID 82403795) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2S)-1,2-dimethyl-6-phenylpiperazine.

Molecular Properties

Compound Name(2S)-1,2-dimethyl-6-phenylpiperazine
PubChem CID82403795
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2S)-1,2-dimethyl-6-phenylpiperazine
SMILESC[C@H]1CNCC(c2ccccc2)N1C
InChIInChI=1S/C12H18N2/c1-10-8-13-9-12(14(10)2)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t10-,12?/m0/s1
InChIKeyQRDIEDACRBAHOS-NUHJPDEHSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-2-benzyl-1,6-dimethylpiperazine
CID 82396482
2-[1-(2-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
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2-phenyl-1-propan-2-yl-1,4-diazepane
CID 82242017
(2R,5R)-1-[2-[(2R,5R)-2,5-diphenylpyrrolidin-1-yl]ethyl]-2,5-diphenylpyrrolidine
CID 135084679
2-phenyl-1-propyl-1,4-diazepane
CID 82242016
1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine
CID 64930739
1-(1-methylpiperidin-4-yl)-2-phenylpiperazine
CID 64936522
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
1-(7-methyloctyl)-2-phenylpiperazine
CID 107818420
(6R)-1,2,6-trimethyl-3-phenylpiperidine
CID 163219493
1-methyl-2-phenylazetidine
CID 576373
1-(2,6-dimethylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 63909410

Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-dimethyl-6-phenylpiperazine?
The IUPAC name of (2S)-1,2-dimethyl-6-phenylpiperazine (CID 82403795) is (2S)-1,2-dimethyl-6-phenylpiperazine.
What is the SMILES notation for (2S)-1,2-dimethyl-6-phenylpiperazine?
The canonical SMILES for (2S)-1,2-dimethyl-6-phenylpiperazine is C[C@H]1CNCC(c2ccccc2)N1C.
What is the InChIKey of (2S)-1,2-dimethyl-6-phenylpiperazine?
The InChIKey is QRDIEDACRBAHOS-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-8-13-9-12(14(10)2)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t10-,12?/m0/s1.
What are the key properties of (2S)-1,2-dimethyl-6-phenylpiperazine?
(2S)-1,2-dimethyl-6-phenylpiperazine has a molecular weight of 190.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-dimethyl-6-phenylpiperazine is sourced from PubChem (CID 82403795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).