tert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate

C14H23N3O3 — CID 22744474

IUPACtert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(Cn2ccnc2)CC1
InChIInChI=1S/C14H23N3O3/c1-13(2,3)20-12(18)17-7-4-14(19,5-8-17)10-16-9-6-15-11-16/h6,9,11,19H,4-5,7-8,10H2,1-3H3
InChIKeyUICJFLQULINQEO-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.65
Rot. Bonds2

About tert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate

tert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate (PubChem CID 22744474) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
PubChem CID22744474
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nametert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(Cn2ccnc2)CC1
InChIInChI=1S/C14H23N3O3/c1-13(2,3)20-12(18)17-7-4-14(19,5-8-17)10-16-9-6-15-11-16/h6,9,11,19H,4-5,7-8,10H2,1-3H3
InChIKeyUICJFLQULINQEO-UHFFFAOYSA-N
XLogP1.65
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate (CID 22744474) is tert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(Cn2ccnc2)CC1.
What is the InChIKey of tert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate?
The InChIKey is UICJFLQULINQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-13(2,3)20-12(18)17-7-4-14(19,5-8-17)10-16-9-6-15-11-16/h6,9,11,19H,4-5,7-8,10H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate?
tert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-4-(imidazol-1-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 22744474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).