(2S,3S)-2,3-dimethylpiperazine

C6H14N2 — CID 51614849

IUPAC(2S,3S)-2,3-dimethylpiperazine
SMILESC[C@@H]1NCCN[C@H]1C
InChIInChI=1S/C6H14N2/c1-5-6(2)8-4-3-7-5/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyCOWPTMLRSANSMQ-WDSKDSINSA-N
MW114.19 g/mol
LogP-0.04
Rot. Bonds

About (2S,3S)-2,3-dimethylpiperazine

(2S,3S)-2,3-dimethylpiperazine (PubChem CID 51614849) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethylpiperazine.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethylpiperazine
PubChem CID51614849
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(2S,3S)-2,3-dimethylpiperazine
SMILESC[C@@H]1NCCN[C@H]1C
InChIInChI=1S/C6H14N2/c1-5-6(2)8-4-3-7-5/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyCOWPTMLRSANSMQ-WDSKDSINSA-N
XLogP-0.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethylpiperazine?
The IUPAC name of (2S,3S)-2,3-dimethylpiperazine (CID 51614849) is (2S,3S)-2,3-dimethylpiperazine.
What is the SMILES notation for (2S,3S)-2,3-dimethylpiperazine?
The canonical SMILES for (2S,3S)-2,3-dimethylpiperazine is C[C@@H]1NCCN[C@H]1C.
What is the InChIKey of (2S,3S)-2,3-dimethylpiperazine?
The InChIKey is COWPTMLRSANSMQ-WDSKDSINSA-N. The full InChI is InChI=1S/C6H14N2/c1-5-6(2)8-4-3-7-5/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethylpiperazine?
(2S,3S)-2,3-dimethylpiperazine has a molecular weight of 114.19 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethylpiperazine is sourced from PubChem (CID 51614849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).