1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol

C15H24F2N2O2S — CID 119111981

IUPAC1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNCc2ccc(CSC(F)F)o2)CC1
InChIInChI=1S/C15H24F2N2O2S/c16-15(17)22-11-14-3-2-13(21-14)10-18-6-1-7-19-8-4-12(20)5-9-19/h2-3,12,15,18,20H,1,4-11H2
InChIKeyYHMXHYZKLDUGOV-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.67
Rot. Bonds9

About 1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol

1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol (PubChem CID 119111981) has the molecular formula C15H24F2N2O2S and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
PubChem CID119111981
Molecular FormulaC15H24F2N2O2S
Molecular Weight334.43 g/mol
Exact Mass334.15
IUPAC Name1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
SMILESOC1CCN(CCCNCc2ccc(CSC(F)F)o2)CC1
InChIInChI=1S/C15H24F2N2O2S/c16-15(17)22-11-14-3-2-13(21-14)10-18-6-1-7-19-8-4-12(20)5-9-19/h2-3,12,15,18,20H,1,4-11H2
InChIKeyYHMXHYZKLDUGOV-UHFFFAOYSA-N
XLogP2.67
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
CID 110929404
1-[3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propyl]piperidin-4-ol
CID 110929359
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43225173
[5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43417503
5-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpentan-1-ol
CID 103859480
N'-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 55140063
methyl 4-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butanoate
CID 54920813
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylsulfinylethanamine
CID 113237595
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(thiolan-3-yl)methanamine
CID 107295296
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(oxan-2-yl)ethanamine
CID 103992949
1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol
CID 110906464
1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
CID 110906462

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol (CID 119111981) is 1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol is OC1CCN(CCCNCc2ccc(CSC(F)F)o2)CC1.
What is the InChIKey of 1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol?
The InChIKey is YHMXHYZKLDUGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2S/c16-15(17)22-11-14-3-2-13(21-14)10-18-6-1-7-19-8-4-12(20)5-9-19/h2-3,12,15,18,20H,1,4-11H2.
What are the key properties of 1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol?
1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol has a molecular weight of 334.43 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propyl]piperidin-4-ol is sourced from PubChem (CID 119111981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).