(2S,5R)-1-benzyl-2,5-dimethylpiperazine

C13H20N2 — CID 23402345

IUPAC(2S,5R)-1-benzyl-2,5-dimethylpiperazine
SMILESC[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1
InChIInChI=1S/C13H20N2/c1-11-9-15(12(2)8-14-11)10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyWJTCHBVEUFDSIK-NEPJUHHUSA-N
MW204.32 g/mol
LogP1.87
Rot. Bonds2

About (2S,5R)-1-benzyl-2,5-dimethylpiperazine

(2S,5R)-1-benzyl-2,5-dimethylpiperazine (PubChem CID 23402345) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2S,5R)-1-benzyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name(2S,5R)-1-benzyl-2,5-dimethylpiperazine
PubChem CID23402345
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2S,5R)-1-benzyl-2,5-dimethylpiperazine
SMILESC[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1
InChIInChI=1S/C13H20N2/c1-11-9-15(12(2)8-14-11)10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyWJTCHBVEUFDSIK-NEPJUHHUSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
CID 64844873
(2S,5R)-1-benzyl-2-(4-fluorophenyl)-5-methylpiperazine
CID 169115881
(2S,5R)-2,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 162420387
2,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 64978933
2,5-dimethyl-1-[(3-pyridin-4-ylphenyl)methyl]piperazine
CID 120906410
(2S,5R)-1-[(3,4-difluorophenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 162420385
1-[(2,3-dichlorophenyl)methyl]-2,5-dimethylpiperazine
CID 64979055

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-1-benzyl-2,5-dimethylpiperazine?
The IUPAC name of (2S,5R)-1-benzyl-2,5-dimethylpiperazine (CID 23402345) is (2S,5R)-1-benzyl-2,5-dimethylpiperazine.
What is the SMILES notation for (2S,5R)-1-benzyl-2,5-dimethylpiperazine?
The canonical SMILES for (2S,5R)-1-benzyl-2,5-dimethylpiperazine is C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1.
What is the InChIKey of (2S,5R)-1-benzyl-2,5-dimethylpiperazine?
The InChIKey is WJTCHBVEUFDSIK-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-9-15(12(2)8-14-11)10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (2S,5R)-1-benzyl-2,5-dimethylpiperazine?
(2S,5R)-1-benzyl-2,5-dimethylpiperazine has a molecular weight of 204.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-1-benzyl-2,5-dimethylpiperazine is sourced from PubChem (CID 23402345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).