1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one

C16H29FN2O2 — CID 156707590

IUPAC1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
SMILESCCCN1CCC(OC2CCN(C(=O)CC)CC2)C(F)C1
InChIInChI=1S/C16H29FN2O2/c1-3-8-18-9-7-15(14(17)12-18)21-13-5-10-19(11-6-13)16(20)4-2/h13-15H,3-12H2,1-2H3
InChIKeyDUNGPEXPBOEJTR-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.23
Rot. Bonds5

About 1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one

1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one (PubChem CID 156707590) has the molecular formula C16H29FN2O2 and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
PubChem CID156707590
Molecular FormulaC16H29FN2O2
Molecular Weight300.42 g/mol
Exact Mass300.22
IUPAC Name1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
SMILESCCCN1CCC(OC2CCN(C(=O)CC)CC2)C(F)C1
InChIInChI=1S/C16H29FN2O2/c1-3-8-18-9-7-15(14(17)12-18)21-13-5-10-19(11-6-13)16(20)4-2/h13-15H,3-12H2,1-2H3
InChIKeyDUNGPEXPBOEJTR-UHFFFAOYSA-N
XLogP2.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.23
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
1-[4-(4-Ethoxypiperidin-1-yl)-4-oxobutyl]piperidin-2-one
CID 131909971
2,2,2-Trifluoro-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 88915727
2,2-Difluoro-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 118551852
2,2-difluoro-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone
CID 121261792
1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]ethanone
CID 121261798
3-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile
CID 121261811
1-[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]ethanone
CID 121261828
1-[4-(1-Fluoroethoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 134271502

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one (CID 156707590) is 1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one is CCCN1CCC(OC2CCN(C(=O)CC)CC2)C(F)C1.
What is the InChIKey of 1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The InChIKey is DUNGPEXPBOEJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FN2O2/c1-3-8-18-9-7-15(14(17)12-18)21-13-5-10-19(11-6-13)16(20)4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
1-[4-(3-fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one has a molecular weight of 300.42 g/mol, XLogP of 2.23, 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-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 156707590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).