1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol

C13H17F2NO — CID 82477446

IUPAC1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol
SMILESOC1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H17F2NO/c14-11-2-1-10(13(15)9-11)3-6-16-7-4-12(17)5-8-16/h1-2,9,12,17H,3-8H2
InChIKeyJQYGSUZLALYTDB-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.96
Rot. Bonds3

About 1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol

1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol (PubChem CID 82477446) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol
PubChem CID82477446
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol
SMILESOC1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C13H17F2NO/c14-11-2-1-10(13(15)9-11)3-6-16-7-4-12(17)5-8-16/h1-2,9,12,17H,3-8H2
InChIKeyJQYGSUZLALYTDB-UHFFFAOYSA-N
XLogP1.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol (CID 82477446) is 1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol is OC1CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol?
The InChIKey is JQYGSUZLALYTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-11-2-1-10(13(15)9-11)3-6-16-7-4-12(17)5-8-16/h1-2,9,12,17H,3-8H2.
What are the key properties of 1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol?
1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol has a molecular weight of 241.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol is sourced from PubChem (CID 82477446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).