(6S)-2-benzyl-1,6-dimethylpiperazine

C13H20N2 — CID 82396482

IUPAC(6S)-2-benzyl-1,6-dimethylpiperazine
SMILESC[C@H]1CNCC(Cc2ccccc2)N1C
InChIInChI=1S/C13H20N2/c1-11-9-14-10-13(15(11)2)8-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t11-,13?/m0/s1
InChIKeyCLBTXJJJFKXTGQ-AMGKYWFPSA-N
MW204.32 g/mol
LogP1.52
Rot. Bonds2

About (6S)-2-benzyl-1,6-dimethylpiperazine

(6S)-2-benzyl-1,6-dimethylpiperazine (PubChem CID 82396482) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (6S)-2-benzyl-1,6-dimethylpiperazine.

Molecular Properties

Compound Name(6S)-2-benzyl-1,6-dimethylpiperazine
PubChem CID82396482
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(6S)-2-benzyl-1,6-dimethylpiperazine
SMILESC[C@H]1CNCC(Cc2ccccc2)N1C
InChIInChI=1S/C13H20N2/c1-11-9-14-10-13(15(11)2)8-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t11-,13?/m0/s1
InChIKeyCLBTXJJJFKXTGQ-AMGKYWFPSA-N
XLogP1.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1,2-dimethyl-6-phenylpiperazine
CID 82403795
(2R)-2-benzyl-1-methylaziridine
CID 87174257
2-benzyl-1,5-dimethylpiperazine
CID 64844005
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
(5S)-5-benzyl-1-methylimidazolidin-2-one
CID 95426078
3,7-dimethyl-1-(1-phenylpropan-2-yl)-1,5-diazocane
CID 55151237
3-benzylazetidine;hydrochloride
CID 54592835
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489
2-benzyl-1-(2-phenylethyl)-1,4-diazepane
CID 82251349
(2R)-2-benzyl-1-methylsulfonylpiperazine
CID 94990746
2-benzyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
CID 82248534
(2R,5S)-1,2-dibenzyl-5-methylpyrrolidine
CID 101143886

Frequently Asked Questions

What is the IUPAC name of (6S)-2-benzyl-1,6-dimethylpiperazine?
The IUPAC name of (6S)-2-benzyl-1,6-dimethylpiperazine (CID 82396482) is (6S)-2-benzyl-1,6-dimethylpiperazine.
What is the SMILES notation for (6S)-2-benzyl-1,6-dimethylpiperazine?
The canonical SMILES for (6S)-2-benzyl-1,6-dimethylpiperazine is C[C@H]1CNCC(Cc2ccccc2)N1C.
What is the InChIKey of (6S)-2-benzyl-1,6-dimethylpiperazine?
The InChIKey is CLBTXJJJFKXTGQ-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-9-14-10-13(15(11)2)8-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of (6S)-2-benzyl-1,6-dimethylpiperazine?
(6S)-2-benzyl-1,6-dimethylpiperazine has a molecular weight of 204.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-benzyl-1,6-dimethylpiperazine is sourced from PubChem (CID 82396482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).