tert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate

C18H25NO5 — CID 10914637

IUPACtert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C18H25NO5/c1-18(2,3)24-17(21)19-11-9-15(10-12-19)23-14-7-5-13(6-8-14)16(20)22-4/h5-8,15H,9-12H2,1-4H3
InChIKeyZKQUTMGOFWLQIO-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.25
Rot. Bonds3

About tert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate

tert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate (PubChem CID 10914637) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is tert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate
PubChem CID10914637
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Nametert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C18H25NO5/c1-18(2,3)24-17(21)19-11-9-15(10-12-19)23-14-7-5-13(6-8-14)16(20)22-4/h5-8,15H,9-12H2,1-4H3
InChIKeyZKQUTMGOFWLQIO-UHFFFAOYSA-N
XLogP3.25
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate (CID 10914637) is tert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate is COC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate?
The InChIKey is ZKQUTMGOFWLQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-18(2,3)24-17(21)19-11-9-15(10-12-19)23-14-7-5-13(6-8-14)16(20)22-4/h5-8,15H,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate?
tert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methoxycarbonylphenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 10914637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).