methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate

C16H32N2O2 — CID 83994928

IUPACmethyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCC(C)(C)C)CN(CC(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-12(2)8-18-9-13(15(19)20-6)7-14(10-18)17-11-16(3,4)5/h12-14,17H,7-11H2,1-6H3
InChIKeyARGPEDBHMWGXIS-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.14
Rot. Bonds5

About methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate

methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate (PubChem CID 83994928) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
PubChem CID83994928
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namemethyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCC(C)(C)C)CN(CC(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-12(2)8-18-9-13(15(19)20-6)7-14(10-18)17-11-16(3,4)5/h12-14,17H,7-11H2,1-6H3
InChIKeyARGPEDBHMWGXIS-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-1-tert-butyl 3-methyl (3R,5S)-5-aminopiperidine-1,3-dicarboxylate
CID 53677987
Methyl 5-(dimethylamino)piperidine-3-carboxylate
CID 83828932
Ethyl 1-(2-aminoethyl)-3-piperidinecarboxylate
CID 49757493
Methyl 1-methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate
CID 83992064
Methyl 1-ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate
CID 83992103
Methyl 1-propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate
CID 83992135
Methyl 1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate
CID 83992159
Methyl 1-butyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate
CID 83992174
Methyl 1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate
CID 83992212
Dimethyl 5-(2,2,2-trifluoroethylamino)piperidine-1,3-dicarboxylate
CID 83992236
Methyl 1-acetyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate
CID 83992290
Methyl 1-propanoyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylate
CID 83992314

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate?
The IUPAC name of methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate (CID 83994928) is methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate is COC(=O)C1CC(NCC(C)(C)C)CN(CC(C)C)C1.
What is the InChIKey of methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate?
The InChIKey is ARGPEDBHMWGXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)8-18-9-13(15(19)20-6)7-14(10-18)17-11-16(3,4)5/h12-14,17H,7-11H2,1-6H3.
What are the key properties of methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate?
methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate is sourced from PubChem (CID 83994928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).