3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol

C14H19N3O2 — CID 171675272

IUPAC3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol
SMILESCn1cnc2ccc(N3CCC(O)C(CO)C3)cc21
InChIInChI=1S/C14H19N3O2/c1-16-9-15-12-3-2-11(6-13(12)16)17-5-4-14(19)10(7-17)8-18/h2-3,6,9-10,14,18-19H,4-5,7-8H2,1H3
InChIKeyOQIRGBZBKSTVFZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.75
Rot. Bonds2

About 3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol

3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol (PubChem CID 171675272) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol
PubChem CID171675272
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol
SMILESCn1cnc2ccc(N3CCC(O)C(CO)C3)cc21
InChIInChI=1S/C14H19N3O2/c1-16-9-15-12-3-2-11(6-13(12)16)17-5-4-14(19)10(7-17)8-18/h2-3,6,9-10,14,18-19H,4-5,7-8H2,1H3
InChIKeyOQIRGBZBKSTVFZ-UHFFFAOYSA-N
XLogP0.75
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol?
The IUPAC name of 3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol (CID 171675272) is 3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol is Cn1cnc2ccc(N3CCC(O)C(CO)C3)cc21.
What is the InChIKey of 3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol?
The InChIKey is OQIRGBZBKSTVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-9-15-12-3-2-11(6-13(12)16)17-5-4-14(19)10(7-17)8-18/h2-3,6,9-10,14,18-19H,4-5,7-8H2,1H3.
What are the key properties of 3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol?
3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol has a molecular weight of 261.32 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-(3-methylbenzimidazol-5-yl)piperidin-4-ol is sourced from PubChem (CID 171675272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).