1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one

C18H24F2N2O2 — CID 28634901

IUPAC1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one
SMILESCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)C(C)(F)F)CC2)[C@H]1O
InChIInChI=1S/C18H24F2N2O2/c1-17(19,20)16(24)22-10-8-18(9-11-22)13-7-5-4-6-12(13)14(15(18)23)21(2)3/h4-7,14-15,23H,8-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyNOXHVXMJLUDXPS-CABCVRRESA-N
MW338.40 g/mol
LogP2.18
Rot. Bonds2

About 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one

1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one (PubChem CID 28634901) has the molecular formula C18H24F2N2O2 and a molecular weight of 338.40 g/mol. Its IUPAC name is 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one
PubChem CID28634901
Molecular FormulaC18H24F2N2O2
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one
SMILESCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)C(C)(F)F)CC2)[C@H]1O
InChIInChI=1S/C18H24F2N2O2/c1-17(19,20)16(24)22-10-8-18(9-11-22)13-7-5-4-6-12(13)14(15(18)23)21(2)3/h4-7,14-15,23H,8-11H2,1-3H3/t14-,15+/m1/s1
InChIKeyNOXHVXMJLUDXPS-CABCVRRESA-N
XLogP2.18
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one?
The IUPAC name of 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one (CID 28634901) is 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one?
The canonical SMILES for 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one is CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)C(C)(F)F)CC2)[C@H]1O.
What is the InChIKey of 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one?
The InChIKey is NOXHVXMJLUDXPS-CABCVRRESA-N. The full InChI is InChI=1S/C18H24F2N2O2/c1-17(19,20)16(24)22-10-8-18(9-11-22)13-7-5-4-6-12(13)14(15(18)23)21(2)3/h4-7,14-15,23H,8-11H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one?
1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one has a molecular weight of 338.40 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2,2-difluoropropan-1-one is sourced from PubChem (CID 28634901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).