2-ethylpiperazine-1-carbonyl chloride

C7H13ClN2O — CID 151342622

IUPAC2-ethylpiperazine-1-carbonyl chloride
SMILESCCC1CNCCN1C(=O)Cl
InChIInChI=1S/C7H13ClN2O/c1-2-6-5-9-3-4-10(6)7(8)11/h6,9H,2-5H2,1H3
InChIKeyOKUKICOBFIPNNI-UHFFFAOYSA-N
MW176.65 g/mol
LogP1.03
Rot. Bonds1

About 2-ethylpiperazine-1-carbonyl chloride

2-ethylpiperazine-1-carbonyl chloride (PubChem CID 151342622) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is 2-ethylpiperazine-1-carbonyl chloride.

Molecular Properties

Compound Name2-ethylpiperazine-1-carbonyl chloride
PubChem CID151342622
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name2-ethylpiperazine-1-carbonyl chloride
SMILESCCC1CNCCN1C(=O)Cl
InChIInChI=1S/C7H13ClN2O/c1-2-6-5-9-3-4-10(6)7(8)11/h6,9H,2-5H2,1H3
InChIKeyOKUKICOBFIPNNI-UHFFFAOYSA-N
XLogP1.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one
CID 163271521
1-[(2R)-2-ethylpiperazin-1-yl]-2-methylbutan-1-one;molecular hydrogen
CID 163271520
2-ethyl-1,4-diazepane-1-carboxylic acid
CID 68851233
2-ethylpiperazine-1-carboximidamide
CID 159511522
bicyclo[2.2.0]hexane;(2-ethylpiperazin-1-yl)-[(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methanone
CID 138521001
2,2-difluorobutane;ethane;1-[(2R)-2-ethylpiperazin-1-yl]ethanone;formic acid
CID 144913933
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
acetic acid;azane;1,2-diethylpiperazine
CID 174720092
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
2,2,2-trichloro-1-[2-(2-methylpropyl)piperazin-1-yl]ethanone
CID 82250186
(2S)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649453
(2R)-2-(2,2-dimethylpropyl)piperazine-1-carboxylic acid
CID 66649395

Frequently Asked Questions

What is the IUPAC name of 2-ethylpiperazine-1-carbonyl chloride?
The IUPAC name of 2-ethylpiperazine-1-carbonyl chloride (CID 151342622) is 2-ethylpiperazine-1-carbonyl chloride.
What is the SMILES notation for 2-ethylpiperazine-1-carbonyl chloride?
The canonical SMILES for 2-ethylpiperazine-1-carbonyl chloride is CCC1CNCCN1C(=O)Cl.
What is the InChIKey of 2-ethylpiperazine-1-carbonyl chloride?
The InChIKey is OKUKICOBFIPNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2O/c1-2-6-5-9-3-4-10(6)7(8)11/h6,9H,2-5H2,1H3.
What are the key properties of 2-ethylpiperazine-1-carbonyl chloride?
2-ethylpiperazine-1-carbonyl chloride has a molecular weight of 176.65 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpiperazine-1-carbonyl chloride is sourced from PubChem (CID 151342622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).