tert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate

C18H25N3O4 — CID 22100795

IUPACtert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate
SMILESCc1nc2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(O)cc2[nH]1
InChIInChI=1S/C18H25N3O4/c1-11-19-13-9-15(22)16(10-14(13)20-11)24-12-5-7-21(8-6-12)17(23)25-18(2,3)4/h9-10,12,22H,5-8H2,1-4H3,(H,19,20)
InChIKeyYBHLQPAFEWZDAH-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.36
Rot. Bonds2

About tert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate

tert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate (PubChem CID 22100795) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is tert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate
PubChem CID22100795
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nametert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate
SMILESCc1nc2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(O)cc2[nH]1
InChIInChI=1S/C18H25N3O4/c1-11-19-13-9-15(22)16(10-14(13)20-11)24-12-5-7-21(8-6-12)17(23)25-18(2,3)4/h9-10,12,22H,5-8H2,1-4H3,(H,19,20)
InChIKeyYBHLQPAFEWZDAH-UHFFFAOYSA-N
XLogP3.36
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2,4-dimethyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-1H-benzimidazole-5-carboxylate
CID 142635894
tert-butyl 4-[(2-methyl-3H-benzimidazol-5-yl)amino]piperidine-1-carboxylate
CID 113223911
tert-butyl 3-[(2-methyl-3H-benzimidazol-5-yl)amino]pyrrolidine-1-carboxylate
CID 103818698
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
tert-butyl 4-[[6-[(4-methoxycarbonylphenyl)methylamino]-2,7-dimethyl-3H-benzimidazol-5-yl]oxy]piperidine-1-carboxylate
CID 142635910
tert-butyl 4-(2-bromo-4-methylphenoxy)piperidine-1-carboxylate
CID 159393378
tert-butyl 4-[(2-amino-5-chloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 170715808
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate
CID 166066269
tert-butyl 4-(2,5-dimethyl-1H-imidazol-4-yl)piperidine-1-carboxylate
CID 89492306
tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 145472944
tert-butyl 4-(3-chloro-2-fluoro-5-methylphenoxy)piperidine-1-carboxylate
CID 118359717

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate (CID 22100795) is tert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate is Cc1nc2cc(OC3CCN(C(=O)OC(C)(C)C)CC3)c(O)cc2[nH]1.
What is the InChIKey of tert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate?
The InChIKey is YBHLQPAFEWZDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-11-19-13-9-15(22)16(10-14(13)20-11)24-12-5-7-21(8-6-12)17(23)25-18(2,3)4/h9-10,12,22H,5-8H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate?
tert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-hydroxy-2-methyl-1H-benzimidazol-5-yl)oxy]piperidine-1-carboxylate is sourced from PubChem (CID 22100795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).