tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate

C22H36N2O6 — CID 171081523

IUPACtert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCCOCCOCCOc2ccccc2N)CC1
InChIInChI=1S/C22H36N2O6/c1-22(2,3)30-21(25)24-10-8-18(9-11-24)28-16-14-26-12-13-27-15-17-29-20-7-5-4-6-19(20)23/h4-7,18H,8-17,23H2,1-3H3
InChIKeyMZOBHGIDAVICCF-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.10
Rot. Bonds11

About tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate

tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate (PubChem CID 171081523) has the molecular formula C22H36N2O6 and a molecular weight of 424.54 g/mol. Its IUPAC name is tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
PubChem CID171081523
Molecular FormulaC22H36N2O6
Molecular Weight424.54 g/mol
Exact Mass424.26
IUPAC Nametert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCCOCCOCCOc2ccccc2N)CC1
InChIInChI=1S/C22H36N2O6/c1-22(2,3)30-21(25)24-10-8-18(9-11-24)28-16-14-26-12-13-27-15-17-29-20-7-5-4-6-19(20)23/h4-7,18H,8-17,23H2,1-3H3
InChIKeyMZOBHGIDAVICCF-UHFFFAOYSA-N
XLogP3.10
TPSA92.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate
CID 171083364
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 171082302
tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 139579331
tert-butyl 4-[4-(2-aminophenoxy)butanoyl]piperazine-1-carboxylate
CID 84551841
tert-butyl 4-[4-(4-phenylmethoxybutoxy)butoxy]piperidine-1-carboxylate
CID 134492988
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid
CID 139578894
tert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate
CID 150104967
tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 164529973
tert-butyl 4-[7-(1,3-dioxoisoindol-2-yl)heptoxy]piperidine-1-carboxylate
CID 171081497
tert-butyl 4-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)oxypropyl]piperidine-1-carboxylate
CID 166066118
tert-butyl 4-[2-[4-[2-[amino(methyl)amino]-5-methoxycarbonyl-3-methylphenoxy]phenoxy]ethoxy]piperidine-1-carboxylate;ethane
CID 177176296

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate (CID 171081523) is tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCCOCCOCCOc2ccccc2N)CC1.
What is the InChIKey of tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate?
The InChIKey is MZOBHGIDAVICCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O6/c1-22(2,3)30-21(25)24-10-8-18(9-11-24)28-16-14-26-12-13-27-15-17-29-20-7-5-4-6-19(20)23/h4-7,18H,8-17,23H2,1-3H3.
What are the key properties of tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate?
tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate has a molecular weight of 424.54 g/mol, XLogP of 3.10, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 171081523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).