1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol

C18H23FN2O2 — CID 111122897

IUPAC1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol
SMILESCC(NCc1ccco1)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C18H23FN2O2/c1-13(20-12-16-3-2-10-23-16)17-11-14(19)4-5-18(17)21-8-6-15(22)7-9-21/h2-5,10-11,13,15,20,22H,6-9,12H2,1H3
InChIKeyUNYMNBOZSIXFGY-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.23
Rot. Bonds5

About 1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol

1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol (PubChem CID 111122897) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol
PubChem CID111122897
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol
SMILESCC(NCc1ccco1)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C18H23FN2O2/c1-13(20-12-16-3-2-10-23-16)17-11-14(19)4-5-18(17)21-8-6-15(22)7-9-21/h2-5,10-11,13,15,20,22H,6-9,12H2,1H3
InChIKeyUNYMNBOZSIXFGY-UHFFFAOYSA-N
XLogP3.23
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-fluoro-2-[1-[(1-methylpyrrol-2-yl)methylamino]ethyl]phenyl]piperidin-4-ol
CID 111436603
1-[4-fluoro-2-[1-(pyridin-3-ylmethylamino)ethyl]phenyl]piperidin-4-ol
CID 111122901
2-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-2-oxoacetic acid
CID 119034038
1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea
CID 95760153
1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol
CID 84748130
1-[2-[1-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]-4-fluorophenyl]piperidin-4-ol
CID 139003399
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-2-methylpyrazole-3-carboxamide
CID 71921965
1-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3-(2-methoxyethyl)urea
CID 95760155
N-ethyl-1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43283921
[1-[2-[1-(ethylamino)ethyl]-4-fluorophenyl]pyrrolidin-3-yl]methanol
CID 112625992
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 71921969
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 119122933

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol (CID 111122897) is 1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol is CC(NCc1ccco1)c1cc(F)ccc1N1CCC(O)CC1.
What is the InChIKey of 1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol?
The InChIKey is UNYMNBOZSIXFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-13(20-12-16-3-2-10-23-16)17-11-14(19)4-5-18(17)21-8-6-15(22)7-9-21/h2-5,10-11,13,15,20,22H,6-9,12H2,1H3.
What are the key properties of 1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol?
1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol has a molecular weight of 318.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 111122897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).