tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate

C21H31NO6 — CID 141098880

IUPACtert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)c1cccc(OC)c1OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H31NO6/c1-6-26-19(23)16-8-7-9-17(25-5)18(16)27-14-15-10-12-22(13-11-15)20(24)28-21(2,3)4/h7-9,15H,6,10-14H2,1-5H3
InChIKeyJYGIZIXYHJQGSN-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.90
Rot. Bonds6

About tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate

tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate (PubChem CID 141098880) has the molecular formula C21H31NO6 and a molecular weight of 393.48 g/mol. Its IUPAC name is tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate
PubChem CID141098880
Molecular FormulaC21H31NO6
Molecular Weight393.48 g/mol
Exact Mass393.22
IUPAC Nametert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate
SMILESCCOC(=O)c1cccc(OC)c1OCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H31NO6/c1-6-26-19(23)16-8-7-9-17(25-5)18(16)27-14-15-10-12-22(13-11-15)20(24)28-21(2,3)4/h7-9,15H,6,10-14H2,1-5H3
InChIKeyJYGIZIXYHJQGSN-UHFFFAOYSA-N
XLogP3.90
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[(2-amino-3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 154815063
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
2-methoxy-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 22914678
tert-butyl 4-[(2-cyano-6-methylphenoxy)methyl]piperidine-1-carboxylate
CID 141498366
tert-butyl 4-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433
tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate
CID 22248451
tert-butyl 3-[(2-methylphenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902814
tert-butyl 4-[[2-(carbamothioylamino)phenoxy]methyl]piperidine-1-carboxylate
CID 169358975
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110428314
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
CID 117314118
methyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]quinoline-4-carboxylate
CID 176864084

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate (CID 141098880) is tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate is CCOC(=O)c1cccc(OC)c1OCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate?
The InChIKey is JYGIZIXYHJQGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO6/c1-6-26-19(23)16-8-7-9-17(25-5)18(16)27-14-15-10-12-22(13-11-15)20(24)28-21(2,3)4/h7-9,15H,6,10-14H2,1-5H3.
What are the key properties of tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate has a molecular weight of 393.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-ethoxycarbonyl-6-methoxyphenoxy)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 141098880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).