tert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate

C19H33NO3 — CID 103915940

IUPACtert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(OCC2CC3CCC2C3)CC1
InChIInChI=1S/C19H33NO3/c1-18(2,3)23-17(21)20-9-7-19(4,8-10-20)22-13-16-12-14-5-6-15(16)11-14/h14-16H,5-13H2,1-4H3
InChIKeyHXCLQCKAOTZUFM-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.23
Rot. Bonds3

About tert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate

tert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate (PubChem CID 103915940) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is tert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate
PubChem CID103915940
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Nametert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C)(OCC2CC3CCC2C3)CC1
InChIInChI=1S/C19H33NO3/c1-18(2,3)23-17(21)20-9-7-19(4,8-10-20)22-13-16-12-14-5-6-15(16)11-14/h14-16H,5-13H2,1-4H3
InChIKeyHXCLQCKAOTZUFM-UHFFFAOYSA-N
XLogP4.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate
CID 83207659
3-(2-bicyclo[2.2.1]heptanylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 103724690
tert-butyl 4-methyl-4-(2,2,2-trifluoroethoxy)piperidine-1-carboxylate
CID 83207570
tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate
CID 83206348
tert-butyl 4-[2-(dimethylamino)ethoxy]-4-methylpiperidine-1-carboxylate
CID 83206653
tert-butyl 4-[3-[[2-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-4-oxo-1,3-thiazol-5-yl]oxy]propyl]piperazine-1-carboxylate
CID 58048367
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate
CID 160869586
tert-butyl 4-(cyclopropylsulfanylmethyl)-4-hydroxypiperidine-1-carboxylate
CID 177053161
tert-butyl 4-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 103915982
tert-butyl 4-methyl-4-(4-methylpentoxy)piperidine-1-carboxylate
CID 83206494
tert-butyl 3-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092588

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate (CID 103915940) is tert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C)(OCC2CC3CCC2C3)CC1.
What is the InChIKey of tert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate?
The InChIKey is HXCLQCKAOTZUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-18(2,3)23-17(21)20-9-7-19(4,8-10-20)22-13-16-12-14-5-6-15(16)11-14/h14-16H,5-13H2,1-4H3.
What are the key properties of tert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate?
tert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate has a molecular weight of 323.48 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-bicyclo[2.2.1]heptanylmethoxy)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 103915940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).