tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate

C19H35NO3 — CID 103916009

IUPACtert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate
SMILESCCC1(OCC2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H35NO3/c1-5-19(22-15-16-9-7-6-8-10-16)11-13-20(14-12-19)17(21)23-18(2,3)4/h16H,5-15H2,1-4H3
InChIKeyJDLXDJCXQVGSKQ-UHFFFAOYSA-N
MW325.49 g/mol
LogP4.76
Rot. Bonds4

About tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate

tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate (PubChem CID 103916009) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate
PubChem CID103916009
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Nametert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate
SMILESCCC1(OCC2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H35NO3/c1-5-19(22-15-16-9-7-6-8-10-16)11-13-20(14-12-19)17(21)23-18(2,3)4/h16H,5-15H2,1-4H3
InChIKeyJDLXDJCXQVGSKQ-UHFFFAOYSA-N
XLogP4.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(cyclopentylmethoxy)-4-methylpiperidine-1-carboxylate
CID 83207659
tert-butyl 4-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]piperidine-1-carboxylate
CID 103939659
tert-butyl 4-(cyclohexylmethoxy)piperidine-1-carboxylate
CID 91187513
tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate
CID 103916041
tert-butyl 4-but-3-ynoxy-4-ethylpiperidine-1-carboxylate
CID 83206243
tert-butyl 4-(2-cyclobutylethoxy)-4-(iodomethyl)piperidine-1-carboxylate
CID 106204873
tert-butyl 4-[3-(dimethylamino)-3-oxopropoxy]-4-ethylpiperidine-1-carboxylate
CID 103916049
tert-butyl 4-ethyl-4-(4,4,4-trifluorobutoxy)piperidine-1-carboxylate
CID 103916044
tert-butyl 4-ethyl-4-[(1-methylimidazol-2-yl)methoxy]piperidine-1-carboxylate
CID 106938775
tert-butyl 4-(cyclohexyloxymethyl)piperidine-1-carboxylate
CID 19602738
tert-butyl 4-ethyl-4-(4-methoxy-4-oxobutoxy)piperidine-1-carboxylate
CID 106940667
tert-butyl 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-4-ethylpiperidine-1-carboxylate
CID 103916059

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate (CID 103916009) is tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate is CCC1(OCC2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate?
The InChIKey is JDLXDJCXQVGSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3/c1-5-19(22-15-16-9-7-6-8-10-16)11-13-20(14-12-19)17(21)23-18(2,3)4/h16H,5-15H2,1-4H3.
What are the key properties of tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate?
tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate has a molecular weight of 325.49 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 103916009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).