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

C14H26N4O4 — CID 150104967

IUPACtert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCCOCCN=[N+]=[N-])CC1
InChIInChI=1S/C14H26N4O4/c1-14(2,3)22-13(19)18-7-4-12(5-8-18)21-11-10-20-9-6-16-17-15/h12H,4-11H2,1-3H3
InChIKeyDWAZCNLRZBVQRX-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.73
Rot. Bonds7

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

tert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate (PubChem CID 150104967) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate
PubChem CID150104967
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Nametert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCCOCCN=[N+]=[N-])CC1
InChIInChI=1S/C14H26N4O4/c1-14(2,3)22-13(19)18-7-4-12(5-8-18)21-11-10-20-9-6-16-17-15/h12H,4-11H2,1-3H3
InChIKeyDWAZCNLRZBVQRX-UHFFFAOYSA-N
XLogP2.73
TPSA96.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid
CID 139578894
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320
tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
CID 22492952
tert-butyl 4-(7-bromoheptoxy)piperidine-1-carboxylate
CID 171081710
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 170910731
tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 171081523
tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 139579331
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]oxypiperidine-1-carboxylate
CID 155783145
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetate
CID 6987532
tert-butyl 4-[2-(trioxidanylsulfanyl)ethoxy]piperidine-1-carboxylate
CID 58676257
tert-butyl 4-(2-azidoethoxy)-2,2-dimethylpyrrolidine-1-carboxylate
CID 139388960

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate (CID 150104967) is tert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCCOCCN=[N+]=[N-])CC1.
What is the InChIKey of tert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate?
The InChIKey is DWAZCNLRZBVQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4/c1-14(2,3)22-13(19)18-7-4-12(5-8-18)21-11-10-20-9-6-16-17-15/h12H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-azidoethoxy)ethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 150104967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).