1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol

C15H19F2NO3 — CID 157039053

IUPAC1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol
SMILESOC1CN(CC2Cc3c(F)ccc(F)c3C2)CC(O)C1O
InChIInChI=1S/C15H19F2NO3/c16-11-1-2-12(17)10-4-8(3-9(10)11)5-18-6-13(19)15(21)14(20)7-18/h1-2,8,13-15,19-21H,3-7H2
InChIKeyVWQMVKXZYVNXLV-UHFFFAOYSA-N
MW299.32 g/mol
LogP0.08
Rot. Bonds2

About 1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol

1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol (PubChem CID 157039053) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol
PubChem CID157039053
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol
SMILESOC1CN(CC2Cc3c(F)ccc(F)c3C2)CC(O)C1O
InChIInChI=1S/C15H19F2NO3/c16-11-1-2-12(17)10-4-8(3-9(10)11)5-18-6-13(19)15(21)14(20)7-18/h1-2,8,13-15,19-21H,3-7H2
InChIKeyVWQMVKXZYVNXLV-UHFFFAOYSA-N
XLogP0.08
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol?
The IUPAC name of 1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol (CID 157039053) is 1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol.
What is the SMILES notation for 1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol?
The canonical SMILES for 1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol is OC1CN(CC2Cc3c(F)ccc(F)c3C2)CC(O)C1O.
What is the InChIKey of 1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol?
The InChIKey is VWQMVKXZYVNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c16-11-1-2-12(17)10-4-8(3-9(10)11)5-18-6-13(19)15(21)14(20)7-18/h1-2,8,13-15,19-21H,3-7H2.
What are the key properties of 1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol?
1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol has a molecular weight of 299.32 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 157039053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).