(2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine

C13H23F2NO2 — CID 175636416

IUPAC(2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine
SMILESCOC1CC(OC2CCN(CC(F)F)[C@H](C)C2)C1
InChIInChI=1S/C13H23F2NO2/c1-9-5-10(3-4-16(9)8-13(14)15)18-12-6-11(7-12)17-2/h9-13H,3-8H2,1-2H3/t9-,10?,11?,12?/m1/s1
InChIKeyOVAGLUDUFNISJT-QBWABLMJSA-N
MW263.33 g/mol
LogP2.30
Rot. Bonds5

About (2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine

(2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine (PubChem CID 175636416) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is (2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine
PubChem CID175636416
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name(2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine
SMILESCOC1CC(OC2CCN(CC(F)F)[C@H](C)C2)C1
InChIInChI=1S/C13H23F2NO2/c1-9-5-10(3-4-16(9)8-13(14)15)18-12-6-11(7-12)17-2/h9-13H,3-8H2,1-2H3/t9-,10?,11?,12?/m1/s1
InChIKeyOVAGLUDUFNISJT-QBWABLMJSA-N
XLogP2.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine?
The IUPAC name of (2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine (CID 175636416) is (2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine.
What is the SMILES notation for (2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine?
The canonical SMILES for (2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine is COC1CC(OC2CCN(CC(F)F)[C@H](C)C2)C1.
What is the InChIKey of (2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine?
The InChIKey is OVAGLUDUFNISJT-QBWABLMJSA-N. The full InChI is InChI=1S/C13H23F2NO2/c1-9-5-10(3-4-16(9)8-13(14)15)18-12-6-11(7-12)17-2/h9-13H,3-8H2,1-2H3/t9-,10?,11?,12?/m1/s1.
What are the key properties of (2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine?
(2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine has a molecular weight of 263.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2-difluoroethyl)-4-(3-methoxycyclobutyl)oxy-2-methylpiperidine is sourced from PubChem (CID 175636416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).