tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate

C16H23FN2O3 — CID 82308835

IUPACtert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate
SMILESCOc1ccc(F)cc1C1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C16H23FN2O3/c1-16(2,3)22-15(20)19-8-7-18-13(10-19)12-9-11(17)5-6-14(12)21-4/h5-6,9,13,18H,7-8,10H2,1-4H3
InChIKeyUOBWUSQMICZNNC-UHFFFAOYSA-N
MW310.37 g/mol
LogP2.72
Rot. Bonds2

About tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate

tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate (PubChem CID 82308835) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate
PubChem CID82308835
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Nametert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate
SMILESCOc1ccc(F)cc1C1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C16H23FN2O3/c1-16(2,3)22-15(20)19-8-7-18-13(10-19)12-9-11(17)5-6-14(12)21-4/h5-6,9,13,18H,7-8,10H2,1-4H3
InChIKeyUOBWUSQMICZNNC-UHFFFAOYSA-N
XLogP2.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(5-fluoro-2-methoxyphenyl)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

tert-butyl (3S)-3-(4-fluorophenyl)piperazine-1-carboxylate
CID 68747024
tert-butyl 3-(3,4,5-trifluorophenyl)piperazine-1-carboxylate
CID 91666765
tert-butyl 3-(2-methylsulfanylphenyl)piperazine-1-carboxylate
CID 83806256
tert-butyl 3-[(5-fluoro-2-methoxyphenyl)-hydroxymethyl]pyrrolidine-1-carboxylate
CID 107093000
tert-butyl 3-(2,3-dichlorophenyl)piperazine-1-carboxylate
CID 71432777
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
tert-butyl 3-[1-(4-fluorophenyl)ethyl]piperazine-1-carboxylate
CID 150651701
tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate
CID 131227560
tert-butyl 3-(4-fluoro-2-methoxyanilino)azetidine-1-carboxylate
CID 63303231
tert-butyl (3S)-3-[(5-fluoro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 146123662
tert-butyl 3-[2-(4-fluorophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 167356878
tert-butyl 3-(3-fluoro-4-methoxyanilino)pyrrolidine-1-carboxylate
CID 103817894

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate (CID 82308835) is tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate is COc1ccc(F)cc1C1CN(C(=O)OC(C)(C)C)CCN1.
What is the InChIKey of tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate?
The InChIKey is UOBWUSQMICZNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-16(2,3)22-15(20)19-8-7-18-13(10-19)12-9-11(17)5-6-14(12)21-4/h5-6,9,13,18H,7-8,10H2,1-4H3.
What are the key properties of tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate?
tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate has a molecular weight of 310.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-fluoro-2-methoxyphenyl)piperazine-1-carboxylate is sourced from PubChem (CID 82308835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).