tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate

C37H57NO11 — CID 171082302

IUPACtert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCCOCCOCCOCCOCCOCCOCCOc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C37H57NO11/c1-37(2,3)49-36(39)38-14-12-33(13-15-38)46-28-26-44-24-22-42-20-18-40-16-17-41-19-21-43-23-25-45-27-29-47-34-10-7-11-35(30-34)48-31-32-8-5-4-6-9-32/h4-11,30,33H,12-29,31H2,1-3H3
InChIKeyKDRXARLXDLIVNR-UHFFFAOYSA-N
MW691.86 g/mol
LogP5.16
Rot. Bonds26

About tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate

tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate (PubChem CID 171082302) has the molecular formula C37H57NO11 and a molecular weight of 691.86 g/mol. Its IUPAC name is tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
PubChem CID171082302
Molecular FormulaC37H57NO11
Molecular Weight691.86 g/mol
Exact Mass691.39
IUPAC Nametert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCCOCCOCCOCCOCCOCCOCCOc2cccc(OCc3ccccc3)c2)CC1
InChIInChI=1S/C37H57NO11/c1-37(2,3)49-36(39)38-14-12-33(13-15-38)46-28-26-44-24-22-42-20-18-40-16-17-41-19-21-43-23-25-45-27-29-47-34-10-7-11-35(30-34)48-31-32-8-5-4-6-9-32/h4-11,30,33H,12-29,31H2,1-3H3
InChIKeyKDRXARLXDLIVNR-UHFFFAOYSA-N
XLogP5.16
TPSA112.61 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500691.86
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(3-phenylmethoxyphenyl)methoxy]piperidine-1-carboxylate
CID 171082503
tert-butyl 4-[4-(4-phenylmethoxybutoxy)butoxy]piperidine-1-carboxylate
CID 134492988
tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 171081523
tert-butyl 4-[[(2S)-2-hydroxy-2-phenyl-2-(3-phenylmethoxyphenyl)acetyl]oxymethyl]piperidine-1-carboxylate
CID 122461753
tert-butyl 4-[3-(1-phenylmethoxycarbonylpiperidin-4-yl)oxypropyl]piperidine-1-carboxylate
CID 166066118
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
tert-butyl (3S)-3-[2-(3-cyanophenoxy)ethoxy]pyrrolidine-1-carboxylate
CID 155752114
CID 178043404
CID 178043404
tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate
CID 135242997
tert-butyl 3-(3-phenylmethoxyphenyl)azetidine-1-carboxylate
CID 71463776
tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 139579331

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate (CID 171082302) is tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCCOCCOCCOCCOCCOCCOCCOc2cccc(OCc3ccccc3)c2)CC1.
What is the InChIKey of tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate?
The InChIKey is KDRXARLXDLIVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H57NO11/c1-37(2,3)49-36(39)38-14-12-33(13-15-38)46-28-26-44-24-22-42-20-18-40-16-17-41-19-21-43-23-25-45-27-29-47-34-10-7-11-35(30-34)48-31-32-8-5-4-6-9-32/h4-11,30,33H,12-29,31H2,1-3H3.
What are the key properties of tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate?
tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate has a molecular weight of 691.86 g/mol, XLogP of 5.16, 26 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 171082302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).