2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol

C14H19F2NO2 — CID 139475766

IUPAC2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol
SMILESCOc1cc(F)c(C2CCCN(CCO)C2)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-19-11-7-12(15)14(13(16)8-11)10-3-2-4-17(9-10)5-6-18/h7-8,10,18H,2-6,9H2,1H3
InChIKeyCIJVFLFLVSRZDN-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.15
Rot. Bonds4

About 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol

2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol (PubChem CID 139475766) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol
PubChem CID139475766
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol
SMILESCOc1cc(F)c(C2CCCN(CCO)C2)c(F)c1
InChIInChI=1S/C14H19F2NO2/c1-19-11-7-12(15)14(13(16)8-11)10-3-2-4-17(9-10)5-6-18/h7-8,10,18H,2-6,9H2,1H3
InChIKeyCIJVFLFLVSRZDN-UHFFFAOYSA-N
XLogP2.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol (CID 139475766) is 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol is COc1cc(F)c(C2CCCN(CCO)C2)c(F)c1.
What is the InChIKey of 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol?
The InChIKey is CIJVFLFLVSRZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-19-11-7-12(15)14(13(16)8-11)10-3-2-4-17(9-10)5-6-18/h7-8,10,18H,2-6,9H2,1H3.
What are the key properties of 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol?
2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol has a molecular weight of 271.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 139475766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).