tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate

C16H29NO3 — CID 83206251

IUPACtert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C)(OCCC2CC2)C1
InChIInChI=1S/C16H29NO3/c1-15(2,3)20-14(18)17-10-5-9-16(4,12-17)19-11-8-13-6-7-13/h13H,5-12H2,1-4H3
InChIKeyXJNYYEUNFWKVDW-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.59
Rot. Bonds4

About tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate

tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate (PubChem CID 83206251) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate
PubChem CID83206251
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C)(OCCC2CC2)C1
InChIInChI=1S/C16H29NO3/c1-15(2,3)20-14(18)17-10-5-9-16(4,12-17)19-11-8-13-6-7-13/h13H,5-12H2,1-4H3
InChIKeyXJNYYEUNFWKVDW-UHFFFAOYSA-N
XLogP3.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(2-ethoxyethoxy)-3-methylpiperidine-1-carboxylate
CID 83207371
tert-butyl 3-methyl-3-(2-methylsulfonylethoxy)piperidine-1-carboxylate
CID 83207465
tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 103916187
tert-butyl 3-(2-butoxyethoxy)-3-methylpyrrolidine-1-carboxylate
CID 83207232
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl 3-(3-hydroxybutoxy)-3-methylpyrrolidine-1-carboxylate
CID 106938832
(3S)-3-(cyclopropylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 97159085
tert-butyl 3-decoxy-3-methylpyrrolidine-1-carboxylate
CID 113351248
tert-butyl 4-(2-cyclobutylethoxy)-4-(iodomethyl)piperidine-1-carboxylate
CID 106204873
tert-butyl (3S)-3-(cyclopropylamino)-3-methylpiperidine-1-carboxylate
CID 97171663
tert-butyl 3-methyl-3-prop-2-ynoxypyrrolidine-1-carboxylate
CID 83206134
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate (CID 83206251) is tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C)(OCCC2CC2)C1.
What is the InChIKey of tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate?
The InChIKey is XJNYYEUNFWKVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-15(2,3)20-14(18)17-10-5-9-16(4,12-17)19-11-8-13-6-7-13/h13H,5-12H2,1-4H3.
What are the key properties of tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate?
tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-cyclopropylethoxy)-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 83206251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).