3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol

C15H21N3O — CID 111112410

IUPAC3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
SMILESOCCCN1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H21N3O/c19-11-3-8-18-9-6-12(7-10-18)15-16-13-4-1-2-5-14(13)17-15/h1-2,4-5,12,19H,3,6-11H2,(H,16,17)
InChIKeySLSSYIRAYVUDIO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.12
Rot. Bonds4

About 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol

3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol (PubChem CID 111112410) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
PubChem CID111112410
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
SMILESOCCCN1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H21N3O/c19-11-3-8-18-9-6-12(7-10-18)15-16-13-4-1-2-5-14(13)17-15/h1-2,4-5,12,19H,3,6-11H2,(H,16,17)
InChIKeySLSSYIRAYVUDIO-UHFFFAOYSA-N
XLogP2.12
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]ethanol
CID 121452087
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole
CID 10087324
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931
2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56785941
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclopentylacetamide
CID 16810435
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731939
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-cyclohexylacetamide
CID 16810436
2-(1-pent-4-ynylazetidin-3-yl)-1H-benzimidazole
CID 148699034

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol (CID 111112410) is 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol is OCCCN1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol?
The InChIKey is SLSSYIRAYVUDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-11-3-8-18-9-6-12(7-10-18)15-16-13-4-1-2-5-14(13)17-15/h1-2,4-5,12,19H,3,6-11H2,(H,16,17).
What are the key properties of 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol?
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 111112410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).