(2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine

C9H20N2O — CID 51623023

IUPAC(2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine
SMILESCOCCN1[C@H](C)CNC[C@@H]1C
InChIInChI=1S/C9H20N2O/c1-8-6-10-7-9(2)11(8)4-5-12-3/h8-10H,4-7H2,1-3H3/t8-,9+
InChIKeyNHGOZVXVXAQQMC-DTORHVGOSA-N
MW172.27 g/mol
LogP0.31
Rot. Bonds3

About (2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine

(2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine (PubChem CID 51623023) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine.

Molecular Properties

Compound Name(2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine
PubChem CID51623023
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine
SMILESCOCCN1[C@H](C)CNC[C@@H]1C
InChIInChI=1S/C9H20N2O/c1-8-6-10-7-9(2)11(8)4-5-12-3/h8-10H,4-7H2,1-3H3/t8-,9+
InChIKeyNHGOZVXVXAQQMC-DTORHVGOSA-N
XLogP0.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine?
The IUPAC name of (2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine (CID 51623023) is (2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine.
What is the SMILES notation for (2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine?
The canonical SMILES for (2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine is COCCN1[C@H](C)CNC[C@@H]1C.
What is the InChIKey of (2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine?
The InChIKey is NHGOZVXVXAQQMC-DTORHVGOSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8-6-10-7-9(2)11(8)4-5-12-3/h8-10H,4-7H2,1-3H3/t8-,9+.
What are the key properties of (2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine?
(2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine has a molecular weight of 172.27 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-(2-methoxyethyl)-2,6-dimethylpiperazine is sourced from PubChem (CID 51623023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).