tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene

C17H25F2NO3 — CID 144885911

IUPACtert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene
SMILESCC(C)(C)OC(=O)N1CCCC(F)C1.COc1ccccc1F
InChIInChI=1S/C10H18FNO2.C7H7FO/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-9-7-5-3-2-4-6(7)8/h8H,4-7H2,1-3H3;2-5H,1H3
InChIKeyXRVZFPHVAAUGAJ-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.19
Rot. Bonds1

About tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene

tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene (PubChem CID 144885911) has the molecular formula C17H25F2NO3 and a molecular weight of 329.39 g/mol. Its IUPAC name is tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene.

Molecular Properties

Compound Nametert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene
PubChem CID144885911
Molecular FormulaC17H25F2NO3
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC Nametert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene
SMILESCC(C)(C)OC(=O)N1CCCC(F)C1.COc1ccccc1F
InChIInChI=1S/C10H18FNO2.C7H7FO/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-9-7-5-3-2-4-6(7)8/h8H,4-7H2,1-3H3;2-5H,1H3
InChIKeyXRVZFPHVAAUGAJ-UHFFFAOYSA-N
XLogP4.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[1-(2-fluoro-6-methoxyphenyl)ethylamino]piperidine-1-carboxylate
CID 113261587
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CID 122200687
tert-butyl (3R)-3-[(2-fluoroanilino)methyl]piperidine-1-carboxylate
CID 97056732
tert-butyl 3-[(2,6-difluorophenoxy)methyl]piperidine-1-carboxylate
CID 24902536
tert-butyl 3-[(2-fluoro-3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 146123551
tert-butyl (3S)-3-(2-bromophenoxy)piperidine-1-carboxylate
CID 69433067
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 169223787
tert-butyl (3R)-3-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 175699659
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate;methyl 2-fluorobenzoate
CID 145220856
tert-butyl (3R,4S)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 124556161
tert-butyl 3-[[(2-fluorobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 166104055

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene?
The IUPAC name of tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene (CID 144885911) is tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene.
What is the SMILES notation for tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene?
The canonical SMILES for tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene is CC(C)(C)OC(=O)N1CCCC(F)C1.COc1ccccc1F.
What is the InChIKey of tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene?
The InChIKey is XRVZFPHVAAUGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2.C7H7FO/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-9-7-5-3-2-4-6(7)8/h8H,4-7H2,1-3H3;2-5H,1H3.
What are the key properties of tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene?
tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene has a molecular weight of 329.39 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-fluoropiperidine-1-carboxylate;1-fluoro-2-methoxybenzene is sourced from PubChem (CID 144885911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).