(2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol

C21H24FN3O — CID 142411740

IUPAC(2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1CCCn1cnc2ccc(-c3ccccc3F)cc21
InChIInChI=1S/C21H24FN3O/c22-17-6-2-1-5-16(17)15-9-10-18-20(13-15)25(14-24-18)12-4-7-19-21(26)8-3-11-23-19/h1-2,5-6,9-10,13-14,19,21,23,26H,3-4,7-8,11-12H2/t19-,21+/m1/s1
InChIKeyLKGISNXIFNGKEA-CTNGQTDRSA-N
MW353.44 g/mol
LogP3.74
Rot. Bonds5

About (2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol

(2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol (PubChem CID 142411740) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is (2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol
PubChem CID142411740
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name(2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1CCCn1cnc2ccc(-c3ccccc3F)cc21
InChIInChI=1S/C21H24FN3O/c22-17-6-2-1-5-16(17)15-9-10-18-20(13-15)25(14-24-18)12-4-7-19-21(26)8-3-11-23-19/h1-2,5-6,9-10,13-14,19,21,23,26H,3-4,7-8,11-12H2/t19-,21+/m1/s1
InChIKeyLKGISNXIFNGKEA-CTNGQTDRSA-N
XLogP3.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol (CID 142411740) is (2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol is O[C@H]1CCCN[C@@H]1CCCn1cnc2ccc(-c3ccccc3F)cc21.
What is the InChIKey of (2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The InChIKey is LKGISNXIFNGKEA-CTNGQTDRSA-N. The full InChI is InChI=1S/C21H24FN3O/c22-17-6-2-1-5-16(17)15-9-10-18-20(13-15)25(14-24-18)12-4-7-19-21(26)8-3-11-23-19/h1-2,5-6,9-10,13-14,19,21,23,26H,3-4,7-8,11-12H2/t19-,21+/m1/s1.
What are the key properties of (2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
(2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol has a molecular weight of 353.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[3-[6-(2-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-3-ol is sourced from PubChem (CID 142411740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).