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

C15H22N2O3 — CID 107877242

IUPACethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccccc2C(C)O)CC1
InChIInChI=1S/C15H22N2O3/c1-3-20-15(19)17-10-8-16(9-11-17)14-7-5-4-6-13(14)12(2)18/h4-7,12,18H,3,8-11H2,1-2H3
InChIKeyFWMNYTNTJFYOJL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.02
Rot. Bonds3

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

ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate (PubChem CID 107877242) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
PubChem CID107877242
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccccc2C(C)O)CC1
InChIInChI=1S/C15H22N2O3/c1-3-20-15(19)17-10-8-16(9-11-17)14-7-5-4-6-13(14)12(2)18/h4-7,12,18H,3,8-11H2,1-2H3
InChIKeyFWMNYTNTJFYOJL-UHFFFAOYSA-N
XLogP2.02
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 107877235
tert-butyl 4-[2-[(1S)-1-aminoethyl]phenyl]piperazine-1-carboxylate
CID 67625337
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
(1R)-1-[2-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939148
ethyl 4-[2-fluoro-4-[(1S)-1-hydroxyethyl]phenyl]piperazine-1-carboxylate
CID 107877221
ethyl 4-[2-[(1S)-1-aminoethyl]-4-fluorophenyl]piperazine-1-carboxylate
CID 107877129
1-[2-(4-propylpiperazin-1-yl)phenyl]ethanol
CID 43510167
ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]ethanol
CID 55166791
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 43592199
ethyl 4-(3-chloro-2-formylphenyl)piperazine-1-carboxylate
CID 107877137
(1S)-1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanol
CID 78941147

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate (CID 107877242) is ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccccc2C(C)O)CC1.
What is the InChIKey of ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate?
The InChIKey is FWMNYTNTJFYOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-20-15(19)17-10-8-16(9-11-17)14-7-5-4-6-13(14)12(2)18/h4-7,12,18H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate?
ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 107877242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).