2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine

C6H14N2 — CID 153319077

IUPAC2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine
SMILES[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(CC)C1([2H])[2H]
InChIInChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3/i3D2,4D2,5D2,6D2
InChIKeyWGCYRFWNGRMRJA-SQUIKQQTSA-N
MW122.24 g/mol
LogP-0.09
Rot. Bonds1

About 2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine

2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine (PubChem CID 153319077) has the molecular formula C6H14N2 and a molecular weight of 122.24 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine
PubChem CID153319077
Molecular FormulaC6H14N2
Molecular Weight122.24 g/mol
Exact Mass122.17
IUPAC Name2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine
SMILES[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(CC)C1([2H])[2H]
InChIInChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3/i3D2,4D2,5D2,6D2
InChIKeyWGCYRFWNGRMRJA-SQUIKQQTSA-N
XLogP-0.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18740677
1-deuterio-4-ethylpiperazine
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1,3-diethyl-1,3,5,7-tetrazocane
CID 146939924
hydron;1,3,5-triethyl-1,3,5-triazinane
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1,4-diethylpiperazine;sulfane
CID 177062456
5-ethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 19908240
1-ethylpiperazine;methane;N-methylmethanamine
CID 68903737
1,6-diethyl-1,6-diazecane
CID 172611513
1-ethyl-1,3-diazepane
CID 91576185
1-ethylpiperidine
CID 13007
1-ethylpyrrolidine;hydrofluoride
CID 163271504

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine?
The IUPAC name of 2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine (CID 153319077) is 2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine is [2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(CC)C1([2H])[2H].
What is the InChIKey of 2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine?
The InChIKey is WGCYRFWNGRMRJA-SQUIKQQTSA-N. The full InChI is InChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3/i3D2,4D2,5D2,6D2.
What are the key properties of 2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine?
2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine has a molecular weight of 122.24 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octadeuterio-1-ethylpiperazine is sourced from PubChem (CID 153319077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).