acetic acid;azane;1,2-diethylpiperazine

C10H25N3O2 — CID 174720092

IUPACacetic acid;azane;1,2-diethylpiperazine
SMILESCC(=O)O.CCC1CNCCN1CC.N
InChIInChI=1S/C8H18N2.C2H4O2.H3N/c1-3-8-7-9-5-6-10(8)4-2;1-2(3)4;/h8-9H,3-7H2,1-2H3;1H3,(H,3,4);1H3
InChIKeyNIGWVCZHXAMMSG-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.94
Rot. Bonds2

About acetic acid;azane;1,2-diethylpiperazine

acetic acid;azane;1,2-diethylpiperazine (PubChem CID 174720092) has the molecular formula C10H25N3O2 and a molecular weight of 219.33 g/mol. Its IUPAC name is acetic acid;azane;1,2-diethylpiperazine.

Molecular Properties

Compound Nameacetic acid;azane;1,2-diethylpiperazine
PubChem CID174720092
Molecular FormulaC10H25N3O2
Molecular Weight219.33 g/mol
Exact Mass219.19
IUPAC Nameacetic acid;azane;1,2-diethylpiperazine
SMILESCC(=O)O.CCC1CNCCN1CC.N
InChIInChI=1S/C8H18N2.C2H4O2.H3N/c1-3-8-7-9-5-6-10(8)4-2;1-2(3)4;/h8-9H,3-7H2,1-2H3;1H3,(H,3,4);1H3
InChIKeyNIGWVCZHXAMMSG-UHFFFAOYSA-N
XLogP0.94
TPSA87.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1,4-diazepane-1-carboxylic acid
CID 68851233
1-(1-ethylpiperazin-2-yl)ethanone
CID 173048643
[(2S)-1-ethylpiperazin-2-yl]methanamine
CID 178078996
(2S)-1-[(2S)-2-ethylpiperazin-1-yl]propan-2-ol
CID 98219220
(2R)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649395
(2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649453
2-ethylpiperazine-1-carbonyl chloride
CID 151342622
1-(2,2-difluoroethyl)-2-ethylpiperazine
CID 63600944
1-ethylpiperazine-2-carboxylate
CID 52911180
2-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112589887
2-ethyl-1-(2-methylbutyl)piperazine
CID 63601291
(2R)-1-ethyl-2-methylpiperazine;2,2,2-trifluoroacetic acid
CID 146455396

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;1,2-diethylpiperazine?
The IUPAC name of acetic acid;azane;1,2-diethylpiperazine (CID 174720092) is acetic acid;azane;1,2-diethylpiperazine.
What is the SMILES notation for acetic acid;azane;1,2-diethylpiperazine?
The canonical SMILES for acetic acid;azane;1,2-diethylpiperazine is CC(=O)O.CCC1CNCCN1CC.N.
What is the InChIKey of acetic acid;azane;1,2-diethylpiperazine?
The InChIKey is NIGWVCZHXAMMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C2H4O2.H3N/c1-3-8-7-9-5-6-10(8)4-2;1-2(3)4;/h8-9H,3-7H2,1-2H3;1H3,(H,3,4);1H3.
What are the key properties of acetic acid;azane;1,2-diethylpiperazine?
acetic acid;azane;1,2-diethylpiperazine has a molecular weight of 219.33 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;1,2-diethylpiperazine is sourced from PubChem (CID 174720092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).