tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate

C17H25N3O3 — CID 126544996

IUPACtert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2c3ccccc3NC2O)CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)19-10-8-12(9-11-19)20-14-7-5-4-6-13(14)18-15(20)21/h4-7,12,15,18,21H,8-11H2,1-3H3
InChIKeyJJPGCJFSYJKRIF-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.59
Rot. Bonds1

About tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate

tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate (PubChem CID 126544996) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate
PubChem CID126544996
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nametert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2c3ccccc3NC2O)CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)19-10-8-12(9-11-19)20-14-7-5-4-6-13(14)18-15(20)21/h4-7,12,15,18,21H,8-11H2,1-3H3
InChIKeyJJPGCJFSYJKRIF-UHFFFAOYSA-N
XLogP2.59
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl 4-[2-hydroxy-1-(2-phenyl-2,3-dihydrobenzimidazol-1-yl)ethyl]piperidine-1-carboxylate
CID 144572742
tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate
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tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate
CID 10759909
tert-butyl (4aS)-6-oxo-1,2,4,4a,5,7-hexahydropyrazino[1,2-a][1,5]benzodiazepine-3-carboxylate
CID 67247695
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate (CID 126544996) is tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2c3ccccc3NC2O)CC1.
What is the InChIKey of tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate?
The InChIKey is JJPGCJFSYJKRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)19-10-8-12(9-11-19)20-14-7-5-4-6-13(14)18-15(20)21/h4-7,12,15,18,21H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate has a molecular weight of 319.41 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 126544996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).