(3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine

C11H20FNO — CID 166077805

IUPAC(3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine
SMILESCOC1CC(N2CC[C@H](C)[C@@H](F)C2)C1
InChIInChI=1S/C11H20FNO/c1-8-3-4-13(7-11(8)12)9-5-10(6-9)14-2/h8-11H,3-7H2,1-2H3/t8-,9?,10?,11-/m0/s1
InChIKeyHBMIORZPKOXOAE-PMUOWJKOSA-N
MW201.28 g/mol
LogP1.84
Rot. Bonds2

About (3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine

(3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine (PubChem CID 166077805) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine
PubChem CID166077805
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine
SMILESCOC1CC(N2CC[C@H](C)[C@@H](F)C2)C1
InChIInChI=1S/C11H20FNO/c1-8-3-4-13(7-11(8)12)9-5-10(6-9)14-2/h8-11H,3-7H2,1-2H3/t8-,9?,10?,11-/m0/s1
InChIKeyHBMIORZPKOXOAE-PMUOWJKOSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine 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 (3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine?
The IUPAC name of (3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine (CID 166077805) is (3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine?
The canonical SMILES for (3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine is COC1CC(N2CC[C@H](C)[C@@H](F)C2)C1.
What is the InChIKey of (3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine?
The InChIKey is HBMIORZPKOXOAE-PMUOWJKOSA-N. The full InChI is InChI=1S/C11H20FNO/c1-8-3-4-13(7-11(8)12)9-5-10(6-9)14-2/h8-11H,3-7H2,1-2H3/t8-,9?,10?,11-/m0/s1.
What are the key properties of (3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine?
(3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine has a molecular weight of 201.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine is sourced from PubChem (CID 166077805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).