tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate

C16H23FN2O2 — CID 83404783

IUPACtert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1ccc(N)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-9-5-4-6-14(19)11-7-8-13(18)12(17)10-11/h7-8,10,14H,4-6,9,18H2,1-3H3
InChIKeyJUNIUFHBECKAEV-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.87
Rot. Bonds1

About tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate

tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate (PubChem CID 83404783) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate
PubChem CID83404783
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nametert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1c1ccc(N)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-9-5-4-6-14(19)11-7-8-13(18)12(17)10-11/h7-8,10,14H,4-6,9,18H2,1-3H3
InChIKeyJUNIUFHBECKAEV-UHFFFAOYSA-N
XLogP3.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(3-amino-5-fluorophenyl)piperidine-1-carboxylate
CID 172593674
tert-butyl 2-(3,4-dimethoxyphenyl)piperidine-1-carboxylate
CID 102390009
tert-butyl 2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 102106848
tert-butyl 2-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
CID 65142557
tert-butyl (2S)-2-(2-fluoro-4-pyridinyl)pyrrolidine-1-carboxylate
CID 138979839
4-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 86309421
tert-butyl 2-(4-carbamoylphenyl)pyrrolidine-1-carboxylate
CID 170590736
tert-butyl 2-(3-chloro-4-cyanophenyl)piperidine-1-carboxylate
CID 170718458
tert-butyl 2-(4-bromo-3-methylphenyl)pyrrolidine-1-carboxylate
CID 53419960
tert-butyl (2R)-2-(4-bromophenyl)pyrrolidine-1-carboxylate
CID 67158206
tert-butyl 2-quinolin-6-ylpiperidine-1-carboxylate
CID 102544437
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]benzoic acid
CID 45073984

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate (CID 83404783) is tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1c1ccc(N)c(F)c1.
What is the InChIKey of tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate?
The InChIKey is JUNIUFHBECKAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-9-5-4-6-14(19)11-7-8-13(18)12(17)10-11/h7-8,10,14H,4-6,9,18H2,1-3H3.
What are the key properties of tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate?
tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-amino-3-fluorophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 83404783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).