1-deuterio-4-ethylpiperazine

C6H14N2 — CID 175711347

IUPAC1-deuterio-4-ethylpiperazine
SMILES[2H]N1CCN(CC)CC1
InChIInChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3/i/hD
InChIKeyWGCYRFWNGRMRJA-DYCDLGHISA-N
MW115.20 g/mol
LogP-0.09
Rot. Bonds1

About 1-deuterio-4-ethylpiperazine

1-deuterio-4-ethylpiperazine (PubChem CID 175711347) has the molecular formula C6H14N2 and a molecular weight of 115.20 g/mol. Its IUPAC name is 1-deuterio-4-ethylpiperazine.

Molecular Properties

Compound Name1-deuterio-4-ethylpiperazine
PubChem CID175711347
Molecular FormulaC6H14N2
Molecular Weight115.20 g/mol
Exact Mass115.12
IUPAC Name1-deuterio-4-ethylpiperazine
SMILES[2H]N1CCN(CC)CC1
InChIInChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3/i/hD
InChIKeyWGCYRFWNGRMRJA-DYCDLGHISA-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 ≤ 500115.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Piperazine
CID 4837
Piperazine Dihydrochloride
CID 8893
1-Methylpiperazine
CID 53167
Aminoethylpiperazine
CID 8795
Piperazine, hydrochloride (1:?)
CID 82044
1-Ethylpiperazine
CID 79196
1,2-Ethanediamine, N1,N1,N2-trimethyl-
CID 67338
1,2-Ethanediamine, N1,N1-diethyl-N2-methyl-
CID 66034
N-Ethylethylenediamine
CID 66071
1,4,7-Trimethyldiethylenetriamine
CID 66930
1-Isopropylpiperazine
CID 78013
1-(2-(Dimethylamino)ethyl)piperazine
CID 2736229

Frequently Asked Questions

What is the IUPAC name of 1-deuterio-4-ethylpiperazine?
The IUPAC name of 1-deuterio-4-ethylpiperazine (CID 175711347) is 1-deuterio-4-ethylpiperazine.
What is the SMILES notation for 1-deuterio-4-ethylpiperazine?
The canonical SMILES for 1-deuterio-4-ethylpiperazine is [2H]N1CCN(CC)CC1.
What is the InChIKey of 1-deuterio-4-ethylpiperazine?
The InChIKey is WGCYRFWNGRMRJA-DYCDLGHISA-N. The full InChI is InChI=1S/C6H14N2/c1-2-8-5-3-7-4-6-8/h7H,2-6H2,1H3/i/hD.
What are the key properties of 1-deuterio-4-ethylpiperazine?
1-deuterio-4-ethylpiperazine has a molecular weight of 115.20 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 1-deuterio-4-ethylpiperazine is sourced from PubChem (CID 175711347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).