1-benzyl-5-(difluoromethyl)piperidine-3,4-diol

C13H17F2NO2 — CID 75631373

IUPAC1-benzyl-5-(difluoromethyl)piperidine-3,4-diol
SMILESOC1CN(Cc2ccccc2)CC(C(F)F)C1O
InChIInChI=1S/C13H17F2NO2/c14-13(15)10-7-16(8-11(17)12(10)18)6-9-4-2-1-3-5-9/h1-5,10-13,17-18H,6-8H2
InChIKeyRKBNJMKGNYNQOD-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.11
Rot. Bonds3

About 1-benzyl-5-(difluoromethyl)piperidine-3,4-diol

1-benzyl-5-(difluoromethyl)piperidine-3,4-diol (PubChem CID 75631373) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 1-benzyl-5-(difluoromethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name1-benzyl-5-(difluoromethyl)piperidine-3,4-diol
PubChem CID75631373
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name1-benzyl-5-(difluoromethyl)piperidine-3,4-diol
SMILESOC1CN(Cc2ccccc2)CC(C(F)F)C1O
InChIInChI=1S/C13H17F2NO2/c14-13(15)10-7-16(8-11(17)12(10)18)6-9-4-2-1-3-5-9/h1-5,10-13,17-18H,6-8H2
InChIKeyRKBNJMKGNYNQOD-UHFFFAOYSA-N
XLogP1.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(difluoromethyl)piperidine-3,4-diol?
The IUPAC name of 1-benzyl-5-(difluoromethyl)piperidine-3,4-diol (CID 75631373) is 1-benzyl-5-(difluoromethyl)piperidine-3,4-diol.
What is the SMILES notation for 1-benzyl-5-(difluoromethyl)piperidine-3,4-diol?
The canonical SMILES for 1-benzyl-5-(difluoromethyl)piperidine-3,4-diol is OC1CN(Cc2ccccc2)CC(C(F)F)C1O.
What is the InChIKey of 1-benzyl-5-(difluoromethyl)piperidine-3,4-diol?
The InChIKey is RKBNJMKGNYNQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c14-13(15)10-7-16(8-11(17)12(10)18)6-9-4-2-1-3-5-9/h1-5,10-13,17-18H,6-8H2.
What are the key properties of 1-benzyl-5-(difluoromethyl)piperidine-3,4-diol?
1-benzyl-5-(difluoromethyl)piperidine-3,4-diol has a molecular weight of 257.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(difluoromethyl)piperidine-3,4-diol is sourced from PubChem (CID 75631373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).