tert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate

C19H26FNO5 — CID 118294750

IUPACtert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2F)cc1OC
InChIInChI=1S/C19H26FNO5/c1-19(2,3)26-18(23)21-9-8-13(15(20)11-21)12-6-7-14(17(22)25-5)16(10-12)24-4/h6-7,10,13,15H,8-9,11H2,1-5H3
InChIKeyFINSUNDHSMINFI-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.54
Rot. Bonds3

About tert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate

tert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate (PubChem CID 118294750) has the molecular formula C19H26FNO5 and a molecular weight of 367.42 g/mol. Its IUPAC name is tert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate
PubChem CID118294750
Molecular FormulaC19H26FNO5
Molecular Weight367.42 g/mol
Exact Mass367.18
IUPAC Nametert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2F)cc1OC
InChIInChI=1S/C19H26FNO5/c1-19(2,3)26-18(23)21-9-8-13(15(20)11-21)12-6-7-14(17(22)25-5)16(10-12)24-4/h6-7,10,13,15H,8-9,11H2,1-5H3
InChIKeyFINSUNDHSMINFI-UHFFFAOYSA-N
XLogP3.54
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-fluoro-4-[4-(2-isocyanoacetyl)-3-methoxyphenyl]piperidine-1-carboxylate
CID 140756657
tert-butyl (4S)-3-fluoro-4-(4-hydroxyphenyl)piperidine-1-carboxylate;ethane
CID 144885917
4-[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 83855966
tert-butyl (3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)piperidine-1-carboxylate
CID 95566662
tert-butyl (3S,4R)-3-amino-4-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxylate
CID 95566620
tert-butyl (3S,4R)-4-(4-butoxyphenyl)-3-fluoropiperidine-1-carboxylate
CID 118221140
tert-butyl 3-(3-methoxy-4-methylphenyl)pyrrolidine-1-carboxylate
CID 169494828
tert-butyl (3R)-3-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylate
CID 176562810
3-fluoro-4-(4-methoxycarbonylphenyl)piperidine-1-carboxylic acid
CID 90341897
tert-butyl 4-[[3-methoxy-4-methoxycarbonyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]methyl]piperidine-1-carboxylate
CID 118294821
tert-butyl 4-(3,4-difluorophenyl)-3-hydroxypiperidine-1-carboxylate
CID 54596037
tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 68532897

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate (CID 118294750) is tert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate is COC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2F)cc1OC.
What is the InChIKey of tert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate?
The InChIKey is FINSUNDHSMINFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO5/c1-19(2,3)26-18(23)21-9-8-13(15(20)11-21)12-6-7-14(17(22)25-5)16(10-12)24-4/h6-7,10,13,15H,8-9,11H2,1-5H3.
What are the key properties of tert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate?
tert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate has a molecular weight of 367.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoro-4-(3-methoxy-4-methoxycarbonylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 118294750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).