tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate

C12H24N2O3 — CID 130156406

IUPACtert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate
SMILESCNC1CCN(C(=O)OC(C)(C)C)CC1OC
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-7-6-9(13-4)10(8-14)16-5/h9-10,13H,6-8H2,1-5H3
InChIKeyHOLKRUPPRSGRHS-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.23
Rot. Bonds2

About tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate

tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate (PubChem CID 130156406) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate
PubChem CID130156406
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate
SMILESCNC1CCN(C(=O)OC(C)(C)C)CC1OC
InChIInChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-7-6-9(13-4)10(8-14)16-5/h9-10,13H,6-8H2,1-5H3
InChIKeyHOLKRUPPRSGRHS-UHFFFAOYSA-N
XLogP1.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate
CID 98008324
1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate
CID 83866843
tert-butyl 3-methoxy-4-nitrosopiperidine-1-carboxylate
CID 143402030
tert-butyl (3S,4S)-4-hydroxy-3-(methylamino)piperidine-1-carboxylate
CID 134482174
tert-butyl 4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138108445
tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138393699
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219
tert-butyl (4S)-3-(cyclopentylamino)-4-methoxypyrrolidine-1-carboxylate
CID 103845392
tert-butyl (4S)-3-(1-cyclopropylethylamino)-4-methoxypyrrolidine-1-carboxylate
CID 103904518
tert-butyl (4S)-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methoxypyrrolidine-1-carboxylate
CID 107244781
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate
CID 170194480

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate (CID 130156406) is tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate is CNC1CCN(C(=O)OC(C)(C)C)CC1OC.
What is the InChIKey of tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate?
The InChIKey is HOLKRUPPRSGRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)17-11(15)14-7-6-9(13-4)10(8-14)16-5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate?
tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methoxy-4-(methylamino)piperidine-1-carboxylate is sourced from PubChem (CID 130156406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).