tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate

C19H27NO5 — CID 11279519

IUPACtert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate
SMILESCOC(=O)c1cc(OC)ccc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H27NO5/c1-19(2,3)25-18(22)20-10-8-13(9-11-20)15-7-6-14(23-4)12-16(15)17(21)24-5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyCCDSWGLQOYLLHH-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.60
Rot. Bonds3

About tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate

tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate (PubChem CID 11279519) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate
PubChem CID11279519
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Nametert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate
SMILESCOC(=O)c1cc(OC)ccc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H27NO5/c1-19(2,3)25-18(22)20-10-8-13(9-11-20)15-7-6-14(23-4)12-16(15)17(21)24-5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyCCDSWGLQOYLLHH-UHFFFAOYSA-N
XLogP3.60
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(4-methoxy-2-propan-2-ylphenyl)piperidine-1-carboxylate
CID 130203154
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
tert-butyl 4-(2-fluoro-4-methoxycarbonyl-5-methylphenyl)piperidine-1-carboxylate
CID 166077537
tert-butyl 3-(2-chloro-5-methoxyphenyl)pyrrolidine-1-carboxylate
CID 169498413
tert-butyl 4-(4-methoxycarbonyl-5-methyl-2-methylsulfonylphenyl)piperidine-1-carboxylate
CID 66559776
tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
CID 22557965
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630
2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171362038
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053
8-methoxy-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]isoquinoline-3-carboxylic acid;methyl 8-methoxy-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]isoquinoline-3-carboxylate
CID 160872520
tert-butyl 4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118483512
tert-butyl 4-[4-bromo-2-(tert-butylamino)phenyl]piperidine-1-carboxylate
CID 170437093

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate (CID 11279519) is tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate is COC(=O)c1cc(OC)ccc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate?
The InChIKey is CCDSWGLQOYLLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-19(2,3)25-18(22)20-10-8-13(9-11-20)15-7-6-14(23-4)12-16(15)17(21)24-5/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate?
tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 3.60, 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-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 11279519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).