(2,5-difluorophenyl)methyl piperidine-1-carboxylate

C13H15F2NO2 — CID 23028763

IUPAC(2,5-difluorophenyl)methyl piperidine-1-carboxylate
SMILESO=C(OCc1cc(F)ccc1F)N1CCCCC1
InChIInChI=1S/C13H15F2NO2/c14-11-4-5-12(15)10(8-11)9-18-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2
InChIKeyFEXBBGKMBHYKGF-UHFFFAOYSA-N
MW255.26 g/mol
LogP3.09
Rot. Bonds2

About (2,5-difluorophenyl)methyl piperidine-1-carboxylate

(2,5-difluorophenyl)methyl piperidine-1-carboxylate (PubChem CID 23028763) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is (2,5-difluorophenyl)methyl piperidine-1-carboxylate.

Molecular Properties

Compound Name(2,5-difluorophenyl)methyl piperidine-1-carboxylate
PubChem CID23028763
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name(2,5-difluorophenyl)methyl piperidine-1-carboxylate
SMILESO=C(OCc1cc(F)ccc1F)N1CCCCC1
InChIInChI=1S/C13H15F2NO2/c14-11-4-5-12(15)10(8-11)9-18-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2
InChIKeyFEXBBGKMBHYKGF-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)methyl piperidine-1-carboxylate?
The IUPAC name of (2,5-difluorophenyl)methyl piperidine-1-carboxylate (CID 23028763) is (2,5-difluorophenyl)methyl piperidine-1-carboxylate.
What is the SMILES notation for (2,5-difluorophenyl)methyl piperidine-1-carboxylate?
The canonical SMILES for (2,5-difluorophenyl)methyl piperidine-1-carboxylate is O=C(OCc1cc(F)ccc1F)N1CCCCC1.
What is the InChIKey of (2,5-difluorophenyl)methyl piperidine-1-carboxylate?
The InChIKey is FEXBBGKMBHYKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-11-4-5-12(15)10(8-11)9-18-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2.
What are the key properties of (2,5-difluorophenyl)methyl piperidine-1-carboxylate?
(2,5-difluorophenyl)methyl piperidine-1-carboxylate has a molecular weight of 255.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)methyl piperidine-1-carboxylate is sourced from PubChem (CID 23028763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).