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

C16H22FN3O — CID 135304098

IUPAC(2R,3S)-2-[3-(5-fluoro-6-methylbenzimidazol-1-yl)propyl]piperidin-3-ol
SMILESCc1cc2c(cc1F)ncn2CCC[C@H]1NCCC[C@@H]1O
InChIInChI=1S/C16H22FN3O/c1-11-8-15-14(9-12(11)17)19-10-20(15)7-3-4-13-16(21)5-2-6-18-13/h8-10,13,16,18,21H,2-7H2,1H3/t13-,16+/m1/s1
InChIKeyKJRXXWHQHSREAU-CJNGLKHVSA-N
MW291.37 g/mol
LogP2.38
Rot. Bonds4

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

(2R,3S)-2-[3-(5-fluoro-6-methylbenzimidazol-1-yl)propyl]piperidin-3-ol (PubChem CID 135304098) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is (2R,3S)-2-[3-(5-fluoro-6-methylbenzimidazol-1-yl)propyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3-(5-fluoro-6-methylbenzimidazol-1-yl)propyl]piperidin-3-ol
PubChem CID135304098
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name(2R,3S)-2-[3-(5-fluoro-6-methylbenzimidazol-1-yl)propyl]piperidin-3-ol
SMILESCc1cc2c(cc1F)ncn2CCC[C@H]1NCCC[C@@H]1O
InChIInChI=1S/C16H22FN3O/c1-11-8-15-14(9-12(11)17)19-10-20(15)7-3-4-13-16(21)5-2-6-18-13/h8-10,13,16,18,21H,2-7H2,1H3/t13-,16+/m1/s1
InChIKeyKJRXXWHQHSREAU-CJNGLKHVSA-N
XLogP2.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.38
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-(5-fluoro-6-methylbenzimidazol-1-yl)propyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[3-(5-fluoro-6-methylbenzimidazol-1-yl)propyl]piperidin-3-ol (CID 135304098) is (2R,3S)-2-[3-(5-fluoro-6-methylbenzimidazol-1-yl)propyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[3-(5-fluoro-6-methylbenzimidazol-1-yl)propyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[3-(5-fluoro-6-methylbenzimidazol-1-yl)propyl]piperidin-3-ol is Cc1cc2c(cc1F)ncn2CCC[C@H]1NCCC[C@@H]1O.
What is the InChIKey of (2R,3S)-2-[3-(5-fluoro-6-methylbenzimidazol-1-yl)propyl]piperidin-3-ol?
The InChIKey is KJRXXWHQHSREAU-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-11-8-15-14(9-12(11)17)19-10-20(15)7-3-4-13-16(21)5-2-6-18-13/h8-10,13,16,18,21H,2-7H2,1H3/t13-,16+/m1/s1.
What are the key properties of (2R,3S)-2-[3-(5-fluoro-6-methylbenzimidazol-1-yl)propyl]piperidin-3-ol?
(2R,3S)-2-[3-(5-fluoro-6-methylbenzimidazol-1-yl)propyl]piperidin-3-ol has a molecular weight of 291.37 g/mol, XLogP of 2.38, 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-(5-fluoro-6-methylbenzimidazol-1-yl)propyl]piperidin-3-ol is sourced from PubChem (CID 135304098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).