3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol

C9H18F2N2O2 — CID 165448451

IUPAC3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol
SMILESCOCCNCC1(O)CCNCC1(F)F
InChIInChI=1S/C9H18F2N2O2/c1-15-5-4-13-6-8(14)2-3-12-7-9(8,10)11/h12-14H,2-7H2,1H3
InChIKeyGLQSZVNNQLDZNB-UHFFFAOYSA-N
MW224.25 g/mol
LogP-0.42
Rot. Bonds5

About 3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol

3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol (PubChem CID 165448451) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol
PubChem CID165448451
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC Name3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol
SMILESCOCCNCC1(O)CCNCC1(F)F
InChIInChI=1S/C9H18F2N2O2/c1-15-5-4-13-6-8(14)2-3-12-7-9(8,10)11/h12-14H,2-7H2,1H3
InChIKeyGLQSZVNNQLDZNB-UHFFFAOYSA-N
XLogP-0.42
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56779871
1-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-4-(trifluoromethyl)piperidin-4-ol
CID 70962676
1-Methyl-4-(methylaminomethyl)piperidin-4-ol;2,2,2-trifluoroacetaldehyde
CID 145647939
2,2-difluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine
CID 156700819
2,2,2-trifluoro-N-[2-(2-methylmorpholin-2-yl)ethyl]ethanamine
CID 156700825
4-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
CID 62222037
4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
CID 62222201
4-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
CID 62222206
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
CID 62222207
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 62593646
1,1,1-Trifluoro-3-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63899270
3-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]pentan-3-ol
CID 65111442

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol?
The IUPAC name of 3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol (CID 165448451) is 3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol.
What is the SMILES notation for 3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol?
The canonical SMILES for 3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol is COCCNCC1(O)CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol?
The InChIKey is GLQSZVNNQLDZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-15-5-4-13-6-8(14)2-3-12-7-9(8,10)11/h12-14H,2-7H2,1H3.
What are the key properties of 3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol?
3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol has a molecular weight of 224.25 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-[(2-methoxyethylamino)methyl]piperidin-4-ol is sourced from PubChem (CID 165448451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).