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

C16H20F3N3O — CID 135304302

IUPAC(2R,3S)-2-[3-[6-(trifluoromethyl)benzimidazol-1-yl]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1CCCn1cnc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H20F3N3O/c17-16(18,19)11-5-6-12-14(9-11)22(10-21-12)8-2-3-13-15(23)4-1-7-20-13/h5-6,9-10,13,15,20,23H,1-4,7-8H2/t13-,15+/m1/s1
InChIKeyQMFZHAJIJBSKJO-HIFRSBDPSA-N
MW327.35 g/mol
LogP2.95
Rot. Bonds4

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

(2R,3S)-2-[3-[6-(trifluoromethyl)benzimidazol-1-yl]propyl]piperidin-3-ol (PubChem CID 135304302) has the molecular formula C16H20F3N3O and a molecular weight of 327.35 g/mol. Its IUPAC name is (2R,3S)-2-[3-[6-(trifluoromethyl)benzimidazol-1-yl]propyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3-[6-(trifluoromethyl)benzimidazol-1-yl]propyl]piperidin-3-ol
PubChem CID135304302
Molecular FormulaC16H20F3N3O
Molecular Weight327.35 g/mol
Exact Mass327.16
IUPAC Name(2R,3S)-2-[3-[6-(trifluoromethyl)benzimidazol-1-yl]propyl]piperidin-3-ol
SMILESO[C@H]1CCCN[C@@H]1CCCn1cnc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C16H20F3N3O/c17-16(18,19)11-5-6-12-14(9-11)22(10-21-12)8-2-3-13-15(23)4-1-7-20-13/h5-6,9-10,13,15,20,23H,1-4,7-8H2/t13-,15+/m1/s1
InChIKeyQMFZHAJIJBSKJO-HIFRSBDPSA-N
XLogP2.95
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.95
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-(trifluoromethyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[3-[6-(trifluoromethyl)benzimidazol-1-yl]propyl]piperidin-3-ol (CID 135304302) is (2R,3S)-2-[3-[6-(trifluoromethyl)benzimidazol-1-yl]propyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[3-[6-(trifluoromethyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[3-[6-(trifluoromethyl)benzimidazol-1-yl]propyl]piperidin-3-ol is O[C@H]1CCCN[C@@H]1CCCn1cnc2ccc(C(F)(F)F)cc21.
What is the InChIKey of (2R,3S)-2-[3-[6-(trifluoromethyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
The InChIKey is QMFZHAJIJBSKJO-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H20F3N3O/c17-16(18,19)11-5-6-12-14(9-11)22(10-21-12)8-2-3-13-15(23)4-1-7-20-13/h5-6,9-10,13,15,20,23H,1-4,7-8H2/t13-,15+/m1/s1.
What are the key properties of (2R,3S)-2-[3-[6-(trifluoromethyl)benzimidazol-1-yl]propyl]piperidin-3-ol?
(2R,3S)-2-[3-[6-(trifluoromethyl)benzimidazol-1-yl]propyl]piperidin-3-ol has a molecular weight of 327.35 g/mol, XLogP of 2.95, 4 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-(trifluoromethyl)benzimidazol-1-yl]propyl]piperidin-3-ol is sourced from PubChem (CID 135304302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).