2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate

C17H25FN2O3 — CID 110911555

IUPAC2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(CC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O3/c1-13(2)12-23-17(22)20-9-7-19(8-10-20)11-16(21)14-3-5-15(18)6-4-14/h3-6,13,16,21H,7-12H2,1-2H3
InChIKeyLXJCAVYJPCPYCC-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.27
Rot. Bonds5

About 2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate

2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate (PubChem CID 110911555) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
PubChem CID110911555
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(CC(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O3/c1-13(2)12-23-17(22)20-9-7-19(8-10-20)11-16(21)14-3-5-15(18)6-4-14/h3-6,13,16,21H,7-12H2,1-2H3
InChIKeyLXJCAVYJPCPYCC-UHFFFAOYSA-N
XLogP2.27
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]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

1-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]propan-1-one
CID 110922561
2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
CID 110910508
ethyl 4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 11066955
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate
CID 171072925
tert-butyl 4-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate
CID 178151027
2-methylpropyl 4-(3-amino-2-methylpropyl)piperazine-1-carboxylate
CID 43252434
(2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129489869
2-methylpropyl 4-[3-(4-fluorophenyl)prop-2-enoyl]-1,4-diazepane-1-carboxylate
CID 76879607
tert-butyl 4-[2-(3-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate
CID 56771184
2-methylpropyl 4-[(4-aminophenyl)methyl]piperazine-1-carboxylate
CID 68835926

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate (CID 110911555) is 2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(CC(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate?
The InChIKey is LXJCAVYJPCPYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-13(2)12-23-17(22)20-9-7-19(8-10-20)11-16(21)14-3-5-15(18)6-4-14/h3-6,13,16,21H,7-12H2,1-2H3.
What are the key properties of 2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate?
2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate has a molecular weight of 324.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperazine-1-carboxylate is sourced from PubChem (CID 110911555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).