[5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol

C19H23F2NO2 — CID 45177492

IUPAC[5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCCC(CCc3ccc(F)c(F)c3)C2)o1
InChIInChI=1S/C19H23F2NO2/c20-18-8-5-14(10-19(18)21)3-4-15-2-1-9-22(11-15)12-16-6-7-17(13-23)24-16/h5-8,10,15,23H,1-4,9,11-13H2
InChIKeyLXCMFSSPPVNOKP-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.89
Rot. Bonds6

About [5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol

[5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol (PubChem CID 45177492) has the molecular formula C19H23F2NO2 and a molecular weight of 335.39 g/mol. Its IUPAC name is [5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol
PubChem CID45177492
Molecular FormulaC19H23F2NO2
Molecular Weight335.39 g/mol
Exact Mass335.17
IUPAC Name[5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCCC(CCc3ccc(F)c(F)c3)C2)o1
InChIInChI=1S/C19H23F2NO2/c20-18-8-5-14(10-19(18)21)3-4-15-2-1-9-22(11-15)12-16-6-7-17(13-23)24-16/h5-8,10,15,23H,1-4,9,11-13H2
InChIKeyLXCMFSSPPVNOKP-UHFFFAOYSA-N
XLogP3.89
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol (CID 45177492) is [5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol is OCc1ccc(CN2CCCC(CCc3ccc(F)c(F)c3)C2)o1.
What is the InChIKey of [5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The InChIKey is LXCMFSSPPVNOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO2/c20-18-8-5-14(10-19(18)21)3-4-15-2-1-9-22(11-15)12-16-6-7-17(13-23)24-16/h5-8,10,15,23H,1-4,9,11-13H2.
What are the key properties of [5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
[5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol has a molecular weight of 335.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 45177492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).