1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol

C13H16FN3O — CID 110931038

IUPAC1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2nc3c(F)cccc3[nH]2)CC1
InChIInChI=1S/C13H16FN3O/c14-10-2-1-3-11-13(10)16-12(15-11)8-17-6-4-9(18)5-7-17/h1-3,9,18H,4-8H2,(H,15,16)
InChIKeyKGNIFBUKZOCLNW-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.66
Rot. Bonds2

About 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol

1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol (PubChem CID 110931038) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol
PubChem CID110931038
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol
SMILESOC1CCN(Cc2nc3c(F)cccc3[nH]2)CC1
InChIInChI=1S/C13H16FN3O/c14-10-2-1-3-11-13(10)16-12(15-11)8-17-6-4-9(18)5-7-17/h1-3,9,18H,4-8H2,(H,15,16)
InChIKeyKGNIFBUKZOCLNW-UHFFFAOYSA-N
XLogP1.66
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol (CID 110931038) is 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol is OC1CCN(Cc2nc3c(F)cccc3[nH]2)CC1.
What is the InChIKey of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol?
The InChIKey is KGNIFBUKZOCLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-10-2-1-3-11-13(10)16-12(15-11)8-17-6-4-9(18)5-7-17/h1-3,9,18H,4-8H2,(H,15,16).
What are the key properties of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol?
1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol has a molecular weight of 249.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 110931038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).