(2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane

C17H26FN3O2 — CID 161451686

IUPAC(2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane
SMILESC.COc1cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c2cc1F
InChIInChI=1S/C16H22FN3O2.CH4/c1-22-16-9-13-14(8-11(16)17)20(10-19-13)7-3-4-12-15(21)5-2-6-18-12;/h8-10,12,15,18,21H,2-7H2,1H3;1H4/t12-,15+;/m1./s1
InChIKeyWAPOPEXADZQDFI-YLCXCWDSSA-N
MW323.41 g/mol
LogP2.71
Rot. Bonds5

About (2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane

(2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane (PubChem CID 161451686) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is (2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane.

Molecular Properties

Compound Name(2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane
PubChem CID161451686
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name(2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane
SMILESC.COc1cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c2cc1F
InChIInChI=1S/C16H22FN3O2.CH4/c1-22-16-9-13-14(8-11(16)17)20(10-19-13)7-3-4-12-15(21)5-2-6-18-12;/h8-10,12,15,18,21H,2-7H2,1H3;1H4/t12-,15+;/m1./s1
InChIKeyWAPOPEXADZQDFI-YLCXCWDSSA-N
XLogP2.71
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-[3-(5-bromo-6-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746395
(2R,3S)-2-[3-(6-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 142411668
(2R,3S)-2-[3-(5,6-dibromobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304190
(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol
CID 135304307
(2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304084
(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746476
(2R,3S)-2-[3-(5-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304185
2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304147
(2R,3S)-2-[3-(5-chloro-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 135304282
(2R,3S)-2-[3-(5-bromo-4-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304029
(2R,3S)-2-[3-(6-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746355
(2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol
CID 135304241

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane?
The IUPAC name of (2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane (CID 161451686) is (2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane.
What is the SMILES notation for (2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane?
The canonical SMILES for (2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane is C.COc1cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c2cc1F.
What is the InChIKey of (2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane?
The InChIKey is WAPOPEXADZQDFI-YLCXCWDSSA-N. The full InChI is InChI=1S/C16H22FN3O2.CH4/c1-22-16-9-13-14(8-11(16)17)20(10-19-13)7-3-4-12-15(21)5-2-6-18-12;/h8-10,12,15,18,21H,2-7H2,1H3;1H4/t12-,15+;/m1./s1.
What are the key properties of (2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane?
(2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane has a molecular weight of 323.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane is sourced from PubChem (CID 161451686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).