1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one

C17H31FN2O2 — CID 156707401

IUPAC1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(OC2CCN(CC(C)C)CC2F)CC1
InChIInChI=1S/C17H31FN2O2/c1-4-17(21)20-9-5-14(6-10-20)22-16-7-8-19(11-13(2)3)12-15(16)18/h13-16H,4-12H2,1-3H3
InChIKeyYZIAUXZRHOBTGY-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.47
Rot. Bonds5

About 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one

1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one (PubChem CID 156707401) has the molecular formula C17H31FN2O2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
PubChem CID156707401
Molecular FormulaC17H31FN2O2
Molecular Weight314.44 g/mol
Exact Mass314.24
IUPAC Name1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(OC2CCN(CC(C)C)CC2F)CC1
InChIInChI=1S/C17H31FN2O2/c1-4-17(21)20-9-5-14(6-10-20)22-16-7-8-19(11-13(2)3)12-15(16)18/h13-16H,4-12H2,1-3H3
InChIKeyYZIAUXZRHOBTGY-UHFFFAOYSA-N
XLogP2.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{4-[(1-Propionyl-4-piperidyl)oxy]piperidino}-1-propanone
CID 91916304
2-Ethyl-1-{4-[(1-methyl-4-piperidyl)oxy]piperidino}-1-butanone
CID 91916415
Cyclopropyl{4-[(1-methyl-4-piperidyl)oxy]piperidino}methanone
CID 110876283
2,2-Dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 110876285
(4S)-1-methyl-4-[4-(2-methylpropoxy)piperidine-1-carbonyl]piperidin-2-one
CID 94632366
1-[4-(4-Ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one
CID 131909971
1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone
CID 121261798
1-[4-(1-Fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 134271502
1-[4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanone
CID 156187211
1-[4-(3-Fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]ethanone
CID 156187212
1-[4-[2-(3-Fluoro-4-propan-2-yloxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156187618
4-(1-Ethylpiperidin-4-yl)oxy-3-fluoro-1-(2-methylpropyl)piperidine
CID 156187620

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one (CID 156707401) is 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one is CCC(=O)N1CCC(OC2CCN(CC(C)C)CC2F)CC1.
What is the InChIKey of 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
The InChIKey is YZIAUXZRHOBTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FN2O2/c1-4-17(21)20-9-5-14(6-10-20)22-16-7-8-19(11-13(2)3)12-15(16)18/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one?
1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one has a molecular weight of 314.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 156707401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).