1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine

C23H43FN2O2 — CID 146339636

IUPAC1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine
SMILESCC(C)(C)OC1CC(OC2CCN(CC3(F)CCN(C(C)(C)C)CC3)CC2)C1
InChIInChI=1S/C23H43FN2O2/c1-21(2,3)26-13-9-23(24,10-14-26)17-25-11-7-18(8-12-25)27-19-15-20(16-19)28-22(4,5)6/h18-20H,7-17H2,1-6H3
InChIKeyYWUOIVRCWYCYGW-UHFFFAOYSA-N
MW398.61 g/mol
LogP4.42
Rot. Bonds5

About 1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine

1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine (PubChem CID 146339636) has the molecular formula C23H43FN2O2 and a molecular weight of 398.61 g/mol. Its IUPAC name is 1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine
PubChem CID146339636
Molecular FormulaC23H43FN2O2
Molecular Weight398.61 g/mol
Exact Mass398.33
IUPAC Name1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine
SMILESCC(C)(C)OC1CC(OC2CCN(CC3(F)CCN(C(C)(C)C)CC3)CC2)C1
InChIInChI=1S/C23H43FN2O2/c1-21(2,3)26-13-9-23(24,10-14-26)17-25-11-7-18(8-12-25)27-19-15-20(16-19)28-22(4,5)6/h18-20H,7-17H2,1-6H3
InChIKeyYWUOIVRCWYCYGW-UHFFFAOYSA-N
XLogP4.42
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.61
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine?
The IUPAC name of 1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine (CID 146339636) is 1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine is CC(C)(C)OC1CC(OC2CCN(CC3(F)CCN(C(C)(C)C)CC3)CC2)C1.
What is the InChIKey of 1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine?
The InChIKey is YWUOIVRCWYCYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43FN2O2/c1-21(2,3)26-13-9-23(24,10-14-26)17-25-11-7-18(8-12-25)27-19-15-20(16-19)28-22(4,5)6/h18-20H,7-17H2,1-6H3.
What are the key properties of 1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine?
1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine has a molecular weight of 398.61 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine is sourced from PubChem (CID 146339636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).