ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate

C15H21ClN2O3 — CID 11066955

IUPACethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O3/c1-2-21-15(20)18-9-7-17(8-10-18)11-14(19)12-3-5-13(16)6-4-12/h3-6,14,19H,2,7-11H2,1H3
InChIKeyXREAITMTGMOJLC-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.15
Rot. Bonds4

About ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate

ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate (PubChem CID 11066955) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
PubChem CID11066955
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Nameethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H21ClN2O3/c1-2-21-15(20)18-9-7-17(8-10-18)11-14(19)12-3-5-13(16)6-4-12/h3-6,14,19H,2,7-11H2,1H3
InChIKeyXREAITMTGMOJLC-UHFFFAOYSA-N
XLogP2.15
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate
CID 10318399
4-[2-(4-chlorophenyl)-2-hydroxyethyl]-1,4-diazepane-1-carboxamide
CID 111116518
ethyl (2S)-2-(4-chlorophenyl)-2-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]acetate
CID 32520506
(1S)-1-(4-chlorophenyl)-2-(4-propylpiperazin-1-yl)ethanol
CID 95299218
ethyl 4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110887601
ethyl 4-[(1S)-1-(4-chlorophenyl)-3-oxopentyl]piperazine-1-carboxylate
CID 174537041
2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 110911555
[4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone
CID 36882205
ethyl 4-[(2S)-2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]piperazine-1-carboxylate
CID 1039038
[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46445280

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate (CID 11066955) is ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate?
The InChIKey is XREAITMTGMOJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-2-21-15(20)18-9-7-17(8-10-18)11-14(19)12-3-5-13(16)6-4-12/h3-6,14,19H,2,7-11H2,1H3.
What are the key properties of ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate has a molecular weight of 312.80 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate is sourced from PubChem (CID 11066955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).