tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate

C12H24N2O3 — CID 66563853

IUPACtert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(OCCN)C1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-7-4-5-10(9-14)16-8-6-13/h10H,4-9,13H2,1-3H3
InChIKeyVNDOMACRDRQKQF-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.36
Rot. Bonds3

About tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate

tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate (PubChem CID 66563853) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate
PubChem CID66563853
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(OCCN)C1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-7-4-5-10(9-14)16-8-6-13/h10H,4-9,13H2,1-3H3
InChIKeyVNDOMACRDRQKQF-UHFFFAOYSA-N
XLogP1.36
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-(2-aminoethoxy)pyrrolidine-1-carboxylate
CID 96551969
tert-butyl (3S,4S)-4-(aminomethyl)-3-methylazepane-1-carboxylate
CID 125117061
tert-butyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyrrolidine-1-carboxylate
CID 71755445
tert-butyl (3R)-3-(trifluoromethoxy)piperidine-1-carboxylate
CID 97109495
tert-butyl 3-(3-aminopropyl)piperidine-1-carboxylate
CID 68857542
tert-butyl 3-(methylideneamino)oxypiperidine-1-carboxylate
CID 88575354
tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
CID 82386816
tert-butyl (3S)-3-(2-cyanoethoxy)pyrrolidine-1-carboxylate
CID 86630776
tert-butyl (3S)-3-(iodomethoxy)pyrrolidine-1-carboxylate
CID 143226936
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 174041768
tert-butyl 3-(2-aminoethyl)azepane-1-carboxylate
CID 83488042
tert-butyl (3S)-3-prop-2-enoyloxypiperidine-1-carboxylate
CID 163505560

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate (CID 66563853) is tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(OCCN)C1.
What is the InChIKey of tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate?
The InChIKey is VNDOMACRDRQKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-7-4-5-10(9-14)16-8-6-13/h10H,4-9,13H2,1-3H3.
What are the key properties of tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate?
tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-aminoethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 66563853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).