1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol

C17H21FN2O2 — CID 84748130

IUPAC1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol
SMILESOC1CCN(c2cc(CNCc3ccco3)ccc2F)CC1
InChIInChI=1S/C17H21FN2O2/c18-16-4-3-13(11-19-12-15-2-1-9-22-15)10-17(16)20-7-5-14(21)6-8-20/h1-4,9-10,14,19,21H,5-8,11-12H2
InChIKeyVEDQFEWKSMJOKI-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.67
Rot. Bonds5

About 1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol

1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol (PubChem CID 84748130) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol
PubChem CID84748130
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol
SMILESOC1CCN(c2cc(CNCc3ccco3)ccc2F)CC1
InChIInChI=1S/C17H21FN2O2/c18-16-4-3-13(11-19-12-15-2-1-9-22-15)10-17(16)20-7-5-14(21)6-8-20/h1-4,9-10,14,19,21H,5-8,11-12H2
InChIKeyVEDQFEWKSMJOKI-UHFFFAOYSA-N
XLogP2.67
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(furan-2-ylmethyl)methanamine
CID 84753234
1-[2-fluoro-4-[(thiophen-2-ylmethylamino)methyl]phenyl]piperidin-4-ol
CID 110905906
1-(2,5-difluorophenyl)piperidin-4-ol
CID 141069702
1-[4-fluoro-2-[1-(furan-2-ylmethylamino)ethyl]phenyl]piperidin-4-ol
CID 111122897
2-fluoro-5-[(furan-2-ylmethylamino)methyl]-N,N-dimethylaniline
CID 84753814
1-[4-[[(2,4-difluorophenyl)methylamino]methyl]-2-fluorophenyl]piperidin-4-ol
CID 47625369
1-[3-(furan-2-ylmethylamino)propyl]piperidin-4-ol
CID 110929404
N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 84753474
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 83468968
N-[(3,5-difluorophenyl)methyl]-1-(furan-2-yl)methanamine
CID 60957165
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-N-(furan-2-ylmethyl)methanamine
CID 47052543
N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 84753620

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol (CID 84748130) is 1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol is OC1CCN(c2cc(CNCc3ccco3)ccc2F)CC1.
What is the InChIKey of 1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol?
The InChIKey is VEDQFEWKSMJOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-16-4-3-13(11-19-12-15-2-1-9-22-15)10-17(16)20-7-5-14(21)6-8-20/h1-4,9-10,14,19,21H,5-8,11-12H2.
What are the key properties of 1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol?
1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol has a molecular weight of 304.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-[(furan-2-ylmethylamino)methyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 84748130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).