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

C13H20N2 — CID 82396489

IUPAC(2S,5S)-5-benzyl-1,2-dimethylpiperazine
SMILESC[C@H]1CN[C@@H](Cc2ccccc2)CN1C
InChIInChI=1S/C13H20N2/c1-11-9-14-13(10-15(11)2)8-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyRZDCZPXZPIPHAJ-AAEUAGOBSA-N
MW204.32 g/mol
LogP1.52
Rot. Bonds2

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

(2S,5S)-5-benzyl-1,2-dimethylpiperazine (PubChem CID 82396489) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2S,5S)-5-benzyl-1,2-dimethylpiperazine.

Molecular Properties

Compound Name(2S,5S)-5-benzyl-1,2-dimethylpiperazine
PubChem CID82396489
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2S,5S)-5-benzyl-1,2-dimethylpiperazine
SMILESC[C@H]1CN[C@@H](Cc2ccccc2)CN1C
InChIInChI=1S/C13H20N2/c1-11-9-14-13(10-15(11)2)8-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyRZDCZPXZPIPHAJ-AAEUAGOBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-benzyl-1,2-dimethylpiperazine?
The IUPAC name of (2S,5S)-5-benzyl-1,2-dimethylpiperazine (CID 82396489) is (2S,5S)-5-benzyl-1,2-dimethylpiperazine.
What is the SMILES notation for (2S,5S)-5-benzyl-1,2-dimethylpiperazine?
The canonical SMILES for (2S,5S)-5-benzyl-1,2-dimethylpiperazine is C[C@H]1CN[C@@H](Cc2ccccc2)CN1C.
What is the InChIKey of (2S,5S)-5-benzyl-1,2-dimethylpiperazine?
The InChIKey is RZDCZPXZPIPHAJ-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-9-14-13(10-15(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 (2S,5S)-5-benzyl-1,2-dimethylpiperazine?
(2S,5S)-5-benzyl-1,2-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 (2S,5S)-5-benzyl-1,2-dimethylpiperazine is sourced from PubChem (CID 82396489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).