(3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine

C13H24FNO — CID 166496578

IUPAC(3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine
SMILESCOC1CC(N2CC[C@H](C(C)C)[C@@H](F)C2)C1
InChIInChI=1S/C13H24FNO/c1-9(2)12-4-5-15(8-13(12)14)10-6-11(7-10)16-3/h9-13H,4-8H2,1-3H3/t10?,11?,12-,13+/m1/s1
InChIKeyKEGJNBSPYYJROM-TUUUFIMRSA-N
MW229.34 g/mol
LogP2.48
Rot. Bonds3

About (3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine

(3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine (PubChem CID 166496578) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine
PubChem CID166496578
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name(3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine
SMILESCOC1CC(N2CC[C@H](C(C)C)[C@@H](F)C2)C1
InChIInChI=1S/C13H24FNO/c1-9(2)12-4-5-15(8-13(12)14)10-6-11(7-10)16-3/h9-13H,4-8H2,1-3H3/t10?,11?,12-,13+/m1/s1
InChIKeyKEGJNBSPYYJROM-TUUUFIMRSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-Methylpiperidin-1-yl)cyclobutyl] hypofluorite
CID 156729614
(3R,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine
CID 166077805
3,3-Difluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine
CID 166078022
(3S,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine
CID 166496531
(3S,4S)-3-fluoro-1-(3-methoxycyclobutyl)-4-methylpiperidine
CID 167217770
3-Fluoro-1-(3-methoxycyclobutyl)piperidine
CID 167217821
4-Fluoro-1-(3-methoxycyclobutyl)piperidine
CID 167217869
(3R)-3-fluoro-1-(3-methoxycyclobutyl)piperidine
CID 167549401
1-(3-Fluoropentyl)-4-(3-methylcyclobutyl)oxypiperidine
CID 167565986
(3R,4S)-3-fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-4-propan-2-ylpiperidine
CID 168081137
(3R,4R)-3-fluoro-4-methyl-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]piperidine
CID 169684994
3-Fluoro-1-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]piperidine
CID 169685098

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine?
The IUPAC name of (3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine (CID 166496578) is (3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for (3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine?
The canonical SMILES for (3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine is COC1CC(N2CC[C@H](C(C)C)[C@@H](F)C2)C1.
What is the InChIKey of (3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine?
The InChIKey is KEGJNBSPYYJROM-TUUUFIMRSA-N. The full InChI is InChI=1S/C13H24FNO/c1-9(2)12-4-5-15(8-13(12)14)10-6-11(7-10)16-3/h9-13H,4-8H2,1-3H3/t10?,11?,12-,13+/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine?
(3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine has a molecular weight of 229.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 166496578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).