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

C11H21FN2O2 — CID 162416986

IUPACtert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate
SMILESCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](F)C1
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)13-9-5-6-14(4)7-8(9)12/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-,9+/m1/s1
InChIKeySXQCFKBDRLXUSR-BDAKNGLRSA-N
MW232.30 g/mol
LogP1.55
Rot. Bonds1

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

tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate (PubChem CID 162416986) has the molecular formula C11H21FN2O2 and a molecular weight of 232.30 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate
PubChem CID162416986
Molecular FormulaC11H21FN2O2
Molecular Weight232.30 g/mol
Exact Mass232.16
IUPAC Nametert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate
SMILESCN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](F)C1
InChIInChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)13-9-5-6-14(4)7-8(9)12/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-,9+/m1/s1
InChIKeySXQCFKBDRLXUSR-BDAKNGLRSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate (CID 162416986) is tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate is CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](F)C1.
What is the InChIKey of tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate?
The InChIKey is SXQCFKBDRLXUSR-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)13-9-5-6-14(4)7-8(9)12/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-,9+/m1/s1.
What are the key properties of tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate?
tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate has a molecular weight of 232.30 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 162416986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).