1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C20H37FN2O2 — CID 165372738

IUPAC1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)OC1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)CC1F
InChIInChI=1S/C20H37FN2O2/c1-19(2,3)18(24)23-11-7-15(8-12-23)13-22-10-9-17(16(21)14-22)25-20(4,5)6/h15-17H,7-14H2,1-6H3
InChIKeyZILWLECXHIUWCN-UHFFFAOYSA-N
MW356.53 g/mol
LogP3.50
Rot. Bonds3

About 1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 165372738) has the molecular formula C20H37FN2O2 and a molecular weight of 356.53 g/mol. Its IUPAC name is 1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID165372738
Molecular FormulaC20H37FN2O2
Molecular Weight356.53 g/mol
Exact Mass356.28
IUPAC Name1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)OC1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)CC1F
InChIInChI=1S/C20H37FN2O2/c1-19(2,3)18(24)23-11-7-15(8-12-23)13-22-10-9-17(16(21)14-22)25-20(4,5)6/h15-17H,7-14H2,1-6H3
InChIKeyZILWLECXHIUWCN-UHFFFAOYSA-N
XLogP3.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 165372730
ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 156707654
[(3R,4S)-3-fluoro-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl] acetate
CID 168903053
1-[4-[2-(3-fluoro-4-methoxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156707378
1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 176622241
2-bromo-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328312
tert-butyl 4-[[(3R)-3-sulfanylpyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 147380366
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde
CID 89354999
tert-butyl 4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 110019957
2,2-dimethyl-3-oxo-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 82821865
2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328262
1-[3-(aminomethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71751710

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 165372738) is 1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)OC1CCN(CC2CCN(C(=O)C(C)(C)C)CC2)CC1F.
What is the InChIKey of 1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ZILWLECXHIUWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37FN2O2/c1-19(2,3)18(24)23-11-7-15(8-12-23)13-22-10-9-17(16(21)14-22)25-20(4,5)6/h15-17H,7-14H2,1-6H3.
What are the key properties of 1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 356.53 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 165372738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).