methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate

C11H22N2O2 — CID 112710580

IUPACmethyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate
SMILESCNC1CCN(C(C)C)CC1C(=O)OC
InChIInChI=1S/C11H22N2O2/c1-8(2)13-6-5-10(12-3)9(7-13)11(14)15-4/h8-10,12H,5-7H2,1-4H3
InChIKeyQAKACGLLZXGFDI-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.48
Rot. Bonds3

About methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate

methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate (PubChem CID 112710580) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate
PubChem CID112710580
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate
SMILESCNC1CCN(C(C)C)CC1C(=O)OC
InChIInChI=1S/C11H22N2O2/c1-8(2)13-6-5-10(12-3)9(7-13)11(14)15-4/h8-10,12H,5-7H2,1-4H3
InChIKeyQAKACGLLZXGFDI-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 3-O-methyl 4-(methylamino)piperidine-1,3-dicarboxylate
CID 83866843
methyl 1,4-di(propan-2-yl)pyrrolidine-3-carboxylate
CID 167252053
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
CID 130272211
4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83483363
methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate
CID 117269861
cyclopropyl-(1-propan-2-ylpyrrolidin-3-yl)methanone
CID 58803042
(3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide
CID 134267302
methyl 4-(methylamino)oxane-3-carboxylate
CID 83846285
N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 177033452
1-methyl-4-propan-2-ylpiperazine;methyl 1-propan-2-ylpiperidine-4-carboxylate;bis(1-(1-propan-2-ylpiperidin-3-yl)ethanone);1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 167665547
N,3-dimethyl-1-propan-2-ylazepan-4-amine
CID 142347784

Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate?
The IUPAC name of methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate (CID 112710580) is methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate?
The canonical SMILES for methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate is CNC1CCN(C(C)C)CC1C(=O)OC.
What is the InChIKey of methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate?
The InChIKey is QAKACGLLZXGFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)13-6-5-10(12-3)9(7-13)11(14)15-4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate?
methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylamino)-1-propan-2-ylpiperidine-3-carboxylate is sourced from PubChem (CID 112710580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).