tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate

C12H23FN2O2 — CID 71068527

IUPACtert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate
SMILESCN1CC[C@@H](N(C)C(=O)OC(C)(C)C)[C@@H](F)C1
InChIInChI=1S/C12H23FN2O2/c1-12(2,3)17-11(16)15(5)10-6-7-14(4)8-9(10)13/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1
InChIKeyOUPCJCGJKWTVCH-VHSXEESVSA-N
MW246.33 g/mol
LogP1.90
Rot. Bonds1

About tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate

tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate (PubChem CID 71068527) has the molecular formula C12H23FN2O2 and a molecular weight of 246.33 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate
PubChem CID71068527
Molecular FormulaC12H23FN2O2
Molecular Weight246.33 g/mol
Exact Mass246.17
IUPAC Nametert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate
SMILESCN1CC[C@@H](N(C)C(=O)OC(C)(C)C)[C@@H](F)C1
InChIInChI=1S/C12H23FN2O2/c1-12(2,3)17-11(16)15(5)10-6-7-14(4)8-9(10)13/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1
InChIKeyOUPCJCGJKWTVCH-VHSXEESVSA-N
XLogP1.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate 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 4-(methylamino)piperidine-1-carboxylate
CID 15380702
4-Amino-1-Boc-piperidine
CID 1268291
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
Tert-butyl 4-[(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 39870957
N-(tert-butoxycarbonyl)piperidine
CID 7010304
(S)-(+)-N-(Boc)-2-methylpiperidine
CID 11019870
tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
CID 11736104
tert-Butyl 4,4-difluoropiperidine-1-carboxylate
CID 21192511
Tert-butyl 4-isothiocyanatopiperidine-1-carboxylate
CID 58591952
rac-tert-butyl (3R,5R)-3-amino-5-fluoropiperidine-1-carboxylate
CID 122164103
Tert-butyl 2-(2-aminoethyl)piperidine-1-carboxylate
CID 2756421
Tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate
CID 10608815

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate (CID 71068527) is tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate is CN1CC[C@@H](N(C)C(=O)OC(C)(C)C)[C@@H](F)C1.
What is the InChIKey of tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate?
The InChIKey is OUPCJCGJKWTVCH-VHSXEESVSA-N. The full InChI is InChI=1S/C12H23FN2O2/c1-12(2,3)17-11(16)15(5)10-6-7-14(4)8-9(10)13/h9-10H,6-8H2,1-5H3/t9-,10+/m0/s1.
What are the key properties of tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate has a molecular weight of 246.33 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 71068527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).