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

C17H20F2N2O2 — CID 45253063

IUPAC[5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCCC(Nc3ccc(F)c(F)c3)C2)o1
InChIInChI=1S/C17H20F2N2O2/c18-16-6-3-12(8-17(16)19)20-13-2-1-7-21(9-13)10-14-4-5-15(11-22)23-14/h3-6,8,13,20,22H,1-2,7,9-11H2
InChIKeyUIRSXRCEAYPEEO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.13
Rot. Bonds5

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

[5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol (PubChem CID 45253063) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is [5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol
PubChem CID45253063
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCCC(Nc3ccc(F)c(F)c3)C2)o1
InChIInChI=1S/C17H20F2N2O2/c18-16-6-3-12(8-17(16)19)20-13-2-1-7-21(9-13)10-14-4-5-15(11-22)23-14/h3-6,8,13,20,22H,1-2,7,9-11H2
InChIKeyUIRSXRCEAYPEEO-UHFFFAOYSA-N
XLogP3.13
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]methyl]phenoxy]ethanol
CID 42213563
1-[3-[[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methyl]phenyl]ethanone
CID 25381608
(3S)-N-(3,4-difluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 25381174
(3R)-N-(3,4-difluorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-amine
CID 25370484
2-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 45241710
[5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
CID 95121456
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
(3R)-N-(3,4-difluorophenyl)-1-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-amine
CID 26320088
2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one
CID 95717027
[5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanol
CID 115882309
3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 45219731
[5-[(3-propoxypiperidin-1-yl)methyl]furan-2-yl]methanol
CID 112548894

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol (CID 45253063) is [5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol is OCc1ccc(CN2CCCC(Nc3ccc(F)c(F)c3)C2)o1.
What is the InChIKey of [5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol?
The InChIKey is UIRSXRCEAYPEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c18-16-6-3-12(8-17(16)19)20-13-2-1-7-21(9-13)10-14-4-5-15(11-22)23-14/h3-6,8,13,20,22H,1-2,7,9-11H2.
What are the key properties of [5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol?
[5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol has a molecular weight of 322.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 45253063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).