tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate

C17H33NO4 — CID 22492952

IUPACtert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
SMILESCOCCCCCCOC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H33NO4/c1-17(2,3)22-16(19)18-11-9-15(10-12-18)21-14-8-6-5-7-13-20-4/h15H,5-14H2,1-4H3
InChIKeyGOXJZIBHAOBQMS-UHFFFAOYSA-N
MW315.45 g/mol
LogP3.61
Rot. Bonds8

About tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate

tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate (PubChem CID 22492952) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
PubChem CID22492952
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC Nametert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
SMILESCOCCCCCCOC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H33NO4/c1-17(2,3)22-16(19)18-11-9-15(10-12-18)21-14-8-6-5-7-13-20-4/h15H,5-14H2,1-4H3
InChIKeyGOXJZIBHAOBQMS-UHFFFAOYSA-N
XLogP3.61
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
tert-butyl 4-(7-bromoheptoxy)piperidine-1-carboxylate
CID 171081710
tert-butyl 4-[3-(cyclobutylamino)propoxy]piperidine-1-carboxylate
CID 107252410
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid
CID 139578894
tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate
CID 46941891
tert-butyl 4-[4-(4-phenylmethoxybutoxy)butoxy]piperidine-1-carboxylate
CID 134492988
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320
tert-butyl (3R)-3-(5-oxopentoxy)pyrrolidine-1-carboxylate
CID 146427934
tert-butyl 4-[3-[(3-amino-3-methylbutyl)amino]propoxy]piperidine-1-carboxylate
CID 112753939
tert-butyl 4-[7-(1,3-dioxoisoindol-2-yl)heptoxy]piperidine-1-carboxylate
CID 171081497
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate (CID 22492952) is tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate is COCCCCCCOC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate?
The InChIKey is GOXJZIBHAOBQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4/c1-17(2,3)22-16(19)18-11-9-15(10-12-18)21-14-8-6-5-7-13-20-4/h15H,5-14H2,1-4H3.
What are the key properties of tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate?
tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate has a molecular weight of 315.45 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate is sourced from PubChem (CID 22492952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).