methyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate

C11H22N2O2 — CID 112710590

IUPACmethyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate
SMILESCNC1CCCN(C(=O)OC)C1C(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)10-9(12-3)6-5-7-13(10)11(14)15-4/h8-10,12H,5-7H2,1-4H3
InChIKeyNLSBXLDQWWYSSK-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.46
Rot. Bonds2

About methyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate

methyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate (PubChem CID 112710590) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate
PubChem CID112710590
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate
SMILESCNC1CCCN(C(=O)OC)C1C(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)10-9(12-3)6-5-7-13(10)11(14)15-4/h8-10,12H,5-7H2,1-4H3
InChIKeyNLSBXLDQWWYSSK-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-methoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 102021668
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen
CID 169160570
methyl 2-[2-(methylamino)propyl]piperidine-1-carboxylate
CID 112714077
methyl 2-prop-2-enylpyrrolidine-1-carboxylate
CID 11062814
methyl 4-oxo-4-(2-propan-2-ylpyrrolidin-1-yl)butanoate
CID 76708874
methyl 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate
CID 89278598
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
methyl 2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxylate
CID 79544161
methyl 2-(5-methoxy-1,5-dioxopentan-2-yl)pyrrolidine-1-carboxylate
CID 131862823
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
tert-butyl 2-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 104955716

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of methyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate (CID 112710590) is methyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for methyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate is CNC1CCCN(C(=O)OC)C1C(C)C.
What is the InChIKey of methyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is NLSBXLDQWWYSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10-9(12-3)6-5-7-13(10)11(14)15-4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of methyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate?
methyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylamino)-2-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 112710590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).