3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one

C13H22F2N2O2 — CID 106493037

IUPAC3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one
SMILESCNCCC1CCCCN1CC1CC(F)(F)C(=O)O1
InChIInChI=1S/C13H22F2N2O2/c1-16-6-5-10-4-2-3-7-17(10)9-11-8-13(14,15)12(18)19-11/h10-11,16H,2-9H2,1H3
InChIKeyJOUVFVXZLBKEKW-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.40
Rot. Bonds5

About 3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one

3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one (PubChem CID 106493037) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one
PubChem CID106493037
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one
SMILESCNCCC1CCCCN1CC1CC(F)(F)C(=O)O1
InChIInChI=1S/C13H22F2N2O2/c1-16-6-5-10-4-2-3-7-17(10)9-11-8-13(14,15)12(18)19-11/h10-11,16H,2-9H2,1H3
InChIKeyJOUVFVXZLBKEKW-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65213774
2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol
CID 114496491
2-(2-bromoethyl)-1-[(5-methyloxolan-2-yl)methyl]piperidine
CID 103139867
cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 65023261
N-methyl-2-[1-[(3-propan-2-ylimidazol-4-yl)methyl]piperidin-2-yl]ethanamine
CID 66162231
2-[1-(4-fluoro-5-methyl-2-nitrophenyl)piperidin-2-yl]-N-methylethanamine
CID 103594189
1-[1-(cyclopropylmethyl)piperidin-2-yl]-N-methylmethanamine
CID 62541663
3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine
CID 102569972
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 65100880
1-[2-[2-(methylamino)ethyl]piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160147
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 83062606

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one (CID 106493037) is 3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one is CNCCC1CCCCN1CC1CC(F)(F)C(=O)O1.
What is the InChIKey of 3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one?
The InChIKey is JOUVFVXZLBKEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c1-16-6-5-10-4-2-3-7-17(10)9-11-8-13(14,15)12(18)19-11/h10-11,16H,2-9H2,1H3.
What are the key properties of 3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one?
3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one has a molecular weight of 276.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]oxolan-2-one is sourced from PubChem (CID 106493037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).