1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone

C10H20N2O — CID 99991019

IUPAC1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone
SMILESCC(=O)N1[C@H](C)[C@H](C)N[C@@H](C)[C@H]1C
InChIInChI=1S/C10H20N2O/c1-6-8(3)12(10(5)13)9(4)7(2)11-6/h6-9,11H,1-5H3/t6-,7-,8+,9+/m0/s1
InChIKeyVSXCRGOTCLUJJF-RBXMUDONSA-N
MW184.28 g/mol
LogP0.99
Rot. Bonds

About 1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone

1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone (PubChem CID 99991019) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone
PubChem CID99991019
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone
SMILESCC(=O)N1[C@H](C)[C@H](C)N[C@@H](C)[C@H]1C
InChIInChI=1S/C10H20N2O/c1-6-8(3)12(10(5)13)9(4)7(2)11-6/h6-9,11H,1-5H3/t6-,7-,8+,9+/m0/s1
InChIKeyVSXCRGOTCLUJJF-RBXMUDONSA-N
XLogP0.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone (CID 99991019) is 1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone is CC(=O)N1[C@H](C)[C@H](C)N[C@@H](C)[C@H]1C.
What is the InChIKey of 1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone?
The InChIKey is VSXCRGOTCLUJJF-RBXMUDONSA-N. The full InChI is InChI=1S/C10H20N2O/c1-6-8(3)12(10(5)13)9(4)7(2)11-6/h6-9,11H,1-5H3/t6-,7-,8+,9+/m0/s1.
What are the key properties of 1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone?
1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone has a molecular weight of 184.28 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5S,6R)-2,3,5,6-tetramethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 99991019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).