2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol

C15H19F2N3O — CID 135304147

IUPAC2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol
SMILESOC1CCCNC1CCCn1cnc2ccc(F)c(F)c21
InChIInChI=1S/C15H19F2N3O/c16-10-5-6-12-15(14(10)17)20(9-19-12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2
InChIKeyBBCHUHJHGIHUCU-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.21
Rot. Bonds4

About 2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol

2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol (PubChem CID 135304147) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol.

Molecular Properties

Compound Name2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol
PubChem CID135304147
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol
SMILESOC1CCCNC1CCCn1cnc2ccc(F)c(F)c21
InChIInChI=1S/C15H19F2N3O/c16-10-5-6-12-15(14(10)17)20(9-19-12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2
InChIKeyBBCHUHJHGIHUCU-UHFFFAOYSA-N
XLogP2.21
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-[3-(6-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746355
(2R,3S)-2-[3-(5-chloro-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 135304282
(2R,3S)-2-[3-(5-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304185
(2R,3S)-2-[3-(7-chloro-4-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304233
(2R,3S)-2-[3-(6-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 142411668
(2R,3S)-2-[3-(5-bromo-6-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746395
(2R,3S)-2-[3-[5-chloro-7-(3-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol
CID 135304685
(2R,3S)-2-[3-(5-bromo-4-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304029
(2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304084
(2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane
CID 161451686
(2R,3S)-2-[3-[7-(1H-pyrazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;dihydrochloride
CID 142746342
(2R,3S)-2-[3-(5,6-dibromobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304190

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol?
The IUPAC name of 2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol (CID 135304147) is 2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol.
What is the SMILES notation for 2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol?
The canonical SMILES for 2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol is OC1CCCNC1CCCn1cnc2ccc(F)c(F)c21.
What is the InChIKey of 2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol?
The InChIKey is BBCHUHJHGIHUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c16-10-5-6-12-15(14(10)17)20(9-19-12)8-2-3-11-13(21)4-1-7-18-11/h5-6,9,11,13,18,21H,1-4,7-8H2.
What are the key properties of 2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol?
2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol has a molecular weight of 295.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol is sourced from PubChem (CID 135304147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).