1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone

C13H22F2N2O2 — CID 177161057

IUPAC1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCC(CN2CCCC(F)(F)C2)CC1
InChIInChI=1S/C13H22F2N2O2/c14-13(15)4-1-5-16(10-13)8-11-2-6-17(7-3-11)12(19)9-18/h11,18H,1-10H2
InChIKeyLOGYKJQZBFLMFG-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.95
Rot. Bonds3

About 1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone

1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 177161057) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone
PubChem CID177161057
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCC(CN2CCCC(F)(F)C2)CC1
InChIInChI=1S/C13H22F2N2O2/c14-13(15)4-1-5-16(10-13)8-11-2-6-17(7-3-11)12(19)9-18/h11,18H,1-10H2
InChIKeyLOGYKJQZBFLMFG-UHFFFAOYSA-N
XLogP0.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-Trifluoro-2-hydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 89935849
1-(3,3-Difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone
CID 130733246
1-(3-Ethylpiperidin-1-yl)-2-hydroxypropan-1-one;1-(3-ethylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 144443469
1-[(3S,4S)-3-fluoro-4-methylpiperidin-1-yl]-2-hydroxyethanone
CID 148826626
1-(3-Fluoro-3,4-dimethylpiperidin-1-yl)-2-hydroxyethanone
CID 178000805
1-(3,3-Difluoro-4-methylpiperidin-1-yl)-2-hydroxyethanone;propane
CID 178001085
1-(4-Ethyl-3,3-difluoropiperidin-1-yl)-2-hydroxyethanone
CID 178001423
2,2,2-Trifluoro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 62491985
2-[4-(2-Hydroxyethyl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 78894140
N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 78896670
1-[4-(Morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 86995161
1-acetyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 103915388

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone (CID 177161057) is 1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone is O=C(CO)N1CCC(CN2CCCC(F)(F)C2)CC1.
What is the InChIKey of 1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is LOGYKJQZBFLMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c14-13(15)4-1-5-16(10-13)8-11-2-6-17(7-3-11)12(19)9-18/h11,18H,1-10H2.
What are the key properties of 1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone?
1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 276.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,3-difluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 177161057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).