1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol

C13H17N3O — CID 113343734

IUPAC1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C13H17N3O/c1-13(17)7-4-8-16(9-13)12-14-10-5-2-3-6-11(10)15-12/h2-3,5-6,17H,4,7-9H2,1H3,(H,14,15)
InChIKeyUFWBIDFXIIKHEK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.91
Rot. Bonds1

About 1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol

1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol (PubChem CID 113343734) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol
PubChem CID113343734
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C13H17N3O/c1-13(17)7-4-8-16(9-13)12-14-10-5-2-3-6-11(10)15-12/h2-3,5-6,17H,4,7-9H2,1H3,(H,14,15)
InChIKeyUFWBIDFXIIKHEK-UHFFFAOYSA-N
XLogP1.91
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol
CID 133411172
2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
CID 133481137
2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102850634
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine
CID 133410916
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol
CID 113341930
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone
CID 146022449
2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole
CID 75435540
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile
CID 115871328

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol (CID 113343734) is 1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol is CC1(O)CCCN(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol?
The InChIKey is UFWBIDFXIIKHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(17)7-4-8-16(9-13)12-14-10-5-2-3-6-11(10)15-12/h2-3,5-6,17H,4,7-9H2,1H3,(H,14,15).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol?
1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol has a molecular weight of 231.30 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 113343734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).