tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate

C12H23FN2O2 — CID 140958930

IUPACtert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate
SMILESCN1CCC(F)(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23FN2O2/c1-11(2,3)17-10(16)14-9-12(13)5-7-15(4)8-6-12/h5-9H2,1-4H3,(H,14,16)
InChIKeyFZJJUALJGVLGNJ-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.95
Rot. Bonds2

About tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate

tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate (PubChem CID 140958930) has the molecular formula C12H23FN2O2 and a molecular weight of 246.33 g/mol. Its IUPAC name is tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate
PubChem CID140958930
Molecular FormulaC12H23FN2O2
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC Nametert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate
SMILESCN1CCC(F)(CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H23FN2O2/c1-11(2,3)17-10(16)14-9-12(13)5-7-15(4)8-6-12/h5-9H2,1-4H3,(H,14,16)
InChIKeyFZJJUALJGVLGNJ-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]carbamate
CID 118874546
tert-butyl N-[(1-benzoyl-4-fluoropiperidin-4-yl)methyl]carbamate
CID 67231354
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
CID 118998436
N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]propanamide
CID 155183393
tert-butyl 4-[(2,2-dimethylpropanoylamino)methyl]-4-fluoropiperidine-1-carboxylate
CID 165433830
tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
CID 142326878
tert-butyl N-[(3-amino-1-fluorocyclohexyl)methyl]carbamate
CID 130067864
tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate
CID 171397407
tert-butyl N-[[1-[2-chloro-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-pyridinyl]-4-fluoropiperidin-4-yl]methyl]carbamate
CID 167427072
tert-butyl N-[[2,2-difluoro-1-(iodomethyl)cyclopropyl]methyl]carbamate
CID 170915051
tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate
CID 134435769
tert-butyl N-[[1-fluoro-3-(prop-2-enoylamino)cyclobutyl]methyl]carbamate
CID 166410433

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate (CID 140958930) is tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate is CN1CCC(F)(CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate?
The InChIKey is FZJJUALJGVLGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O2/c1-11(2,3)17-10(16)14-9-12(13)5-7-15(4)8-6-12/h5-9H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate?
tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate has a molecular weight of 246.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate is sourced from PubChem (CID 140958930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).