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

C11H20FNO — CID 167217770

IUPAC(3S,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-IDWGSYCQSA-N
MW201.28 g/mol
LogP1.84
Rot. Bonds2

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

(3S,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine (PubChem CID 167217770) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine
PubChem CID167217770
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(3S,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-IDWGSYCQSA-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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine?
The IUPAC name of (3S,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine (CID 167217770) is (3S,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine.
What is the SMILES notation for (3S,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine?
The canonical SMILES for (3S,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine is COC1CC(N2CC[C@H](C)[C@H](F)C2)C1.
What is the InChIKey of (3S,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine?
The InChIKey is HBMIORZPKOXOAE-IDWGSYCQSA-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 (3S,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine?
(3S,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 (3S,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine is sourced from PubChem (CID 167217770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).