ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate

C20H22Cl2N2O2 — CID 10318399

IUPACethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22Cl2N2O2/c1-2-26-20(25)24-13-11-23(12-14-24)19(15-3-7-17(21)8-4-15)16-5-9-18(22)10-6-16/h3-10,19H,2,11-14H2,1H3
InChIKeyXBWDFGLAYZYAIM-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.86
Rot. Bonds4

About ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate

ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate (PubChem CID 10318399) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate
PubChem CID10318399
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Nameethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22Cl2N2O2/c1-2-26-20(25)24-13-11-23(12-14-24)19(15-3-7-17(21)8-4-15)16-5-9-18(22)10-6-16/h3-10,19H,2,11-14H2,1H3
InChIKeyXBWDFGLAYZYAIM-UHFFFAOYSA-N
XLogP4.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[bis[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 18348177
ethyl 4-[(1S)-1-(4-chlorophenyl)-3-oxopentyl]piperazine-1-carboxylate
CID 174537041
ethyl 4-[(S)-(4-chlorophenyl)-(1-ethyl-4-hydroxy-6-methyl-2-oxo-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 54739380
ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 11066955
(1,1,1-trifluoro-3-methoxy-3-oxopropan-2-yl) 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate
CID 71656887
(2R)-1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 92770642
ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 34292601
(1,1,1-trifluoro-3-oxopropan-2-yl) 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate
CID 140663928
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46100506
ethyl 4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoate
CID 54551430
ethyl 4-[1-(4-aminophenyl)ethyl]piperazine-1-carboxylate
CID 107876844
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2,2-dimethylbutan-1-one
CID 46100767

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate (CID 10318399) is ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate?
The InChIKey is XBWDFGLAYZYAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-2-26-20(25)24-13-11-23(12-14-24)19(15-3-7-17(21)8-4-15)16-5-9-18(22)10-6-16/h3-10,19H,2,11-14H2,1H3.
What are the key properties of ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate?
ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate has a molecular weight of 393.31 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 10318399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).