1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol

C18H27N3O2 — CID 84596080

IUPAC1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCCC(c2nc3ccc(C)cc3[nH]2)C1
InChIInChI=1S/C18H27N3O2/c1-3-23-12-15(22)11-21-8-4-5-14(10-21)18-19-16-7-6-13(2)9-17(16)20-18/h6-7,9,14-15,22H,3-5,8,10-12H2,1-2H3,(H,19,20)
InChIKeyOAHCTCXKPQYQCV-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.45
Rot. Bonds6

About 1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol

1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol (PubChem CID 84596080) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol
PubChem CID84596080
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol
SMILESCCOCC(O)CN1CCCC(c2nc3ccc(C)cc3[nH]2)C1
InChIInChI=1S/C18H27N3O2/c1-3-23-12-15(22)11-21-8-4-5-14(10-21)18-19-16-7-6-13(2)9-17(16)20-18/h6-7,9,14-15,22H,3-5,8,10-12H2,1-2H3,(H,19,20)
InChIKeyOAHCTCXKPQYQCV-UHFFFAOYSA-N
XLogP2.45
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol
CID 99851245
2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide
CID 167767525
1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224
3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 97328833
2-methyl-1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 122137072
N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 3223963
2-[(3S)-1-(azepan-1-ylsulfonyl)piperidin-3-yl]-6-methyl-1H-benzimidazole
CID 97258168
1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one
CID 84596082
(3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one
CID 129432836
3-ethoxy-1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 70753192
N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 3223968
(3S)-N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 7099391

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol (CID 84596080) is 1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol is CCOCC(O)CN1CCCC(c2nc3ccc(C)cc3[nH]2)C1.
What is the InChIKey of 1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is OAHCTCXKPQYQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-23-12-15(22)11-21-8-4-5-14(10-21)18-19-16-7-6-13(2)9-17(16)20-18/h6-7,9,14-15,22H,3-5,8,10-12H2,1-2H3,(H,19,20).
What are the key properties of 1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol?
1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 317.43 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 84596080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).