3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol

C15H21N3O2 — CID 84816442

IUPAC3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
SMILESOCCCOc1ccc2nc(C3CCCNC3)[nH]c2c1
InChIInChI=1S/C15H21N3O2/c19-7-2-8-20-12-4-5-13-14(9-12)18-15(17-13)11-3-1-6-16-10-11/h4-5,9,11,16,19H,1-3,6-8,10H2,(H,17,18)
InChIKeyDHUIEPALAQMLNB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.79
Rot. Bonds5

About 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol

3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol (PubChem CID 84816442) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
PubChem CID84816442
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
SMILESOCCCOc1ccc2nc(C3CCCNC3)[nH]c2c1
InChIInChI=1S/C15H21N3O2/c19-7-2-8-20-12-4-5-13-14(9-12)18-15(17-13)11-3-1-6-16-10-11/h4-5,9,11,16,19H,1-3,6-8,10H2,(H,17,18)
InChIKeyDHUIEPALAQMLNB-UHFFFAOYSA-N
XLogP1.79
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanethioamide
CID 84816445
6-ethoxy-2-piperidin-3-yl-1H-benzimidazole
CID 82331880
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile
CID 84816437
2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide
CID 84816446
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 83424440
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole
CID 83949259
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816333
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
CID 117391858
N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
CID 119871952

Frequently Asked Questions

What is the IUPAC name of 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol?
The IUPAC name of 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol (CID 84816442) is 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol.
What is the SMILES notation for 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol?
The canonical SMILES for 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol is OCCCOc1ccc2nc(C3CCCNC3)[nH]c2c1.
What is the InChIKey of 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol?
The InChIKey is DHUIEPALAQMLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-7-2-8-20-12-4-5-13-14(9-12)18-15(17-13)11-3-1-6-16-10-11/h4-5,9,11,16,19H,1-3,6-8,10H2,(H,17,18).
What are the key properties of 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol?
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol is sourced from PubChem (CID 84816442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).