ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate

C15H20Cl2N2O2 — CID 113075233

IUPACethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-2-21-15(20)19-9-7-18(8-10-19)6-5-12-3-4-13(16)11-14(12)17/h3-4,11H,2,5-10H2,1H3
InChIKeyCMRLQBGIZWSKCV-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.31
Rot. Bonds4

About ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate

ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate (PubChem CID 113075233) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate
PubChem CID113075233
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Nameethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-2-21-15(20)19-9-7-18(8-10-19)6-5-12-3-4-13(16)11-14(12)17/h3-4,11H,2,5-10H2,1H3
InChIKeyCMRLQBGIZWSKCV-UHFFFAOYSA-N
XLogP3.31
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(2,4-dichlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 113075198
4-[2-(2,4-dichlorophenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 113103681
4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide
CID 113075230
1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 136537667
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
[2-(methylamino)-2-oxoethyl] 4-[2-(2-chlorophenyl)ethyl]piperazine-1-carboxylate
CID 174508294
ethyl 4-[2-(2,4-dichloroanilino)-2-oxoacetyl]piperazine-1-carboxylate
CID 108502954
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 43390857
ethyl 4-[2-(aminomethyl)-4-chlorophenyl]piperazine-1-carboxylate
CID 107876779
(2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride
CID 69143909
ethyl 4-[3-(2,4-dichloroanilino)propanoyl]piperazine-1-carboxylate
CID 109029107
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate (CID 113075233) is ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate?
The InChIKey is CMRLQBGIZWSKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-2-21-15(20)19-9-7-18(8-10-19)6-5-12-3-4-13(16)11-14(12)17/h3-4,11H,2,5-10H2,1H3.
What are the key properties of ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate?
ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate has a molecular weight of 331.24 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 113075233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).