methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate

C12H24N2O2 — CID 120854764

IUPACmethyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(C)(C)N)CC1C
InChIInChI=1S/C12H24N2O2/c1-9-7-14(8-12(2,3)13)6-5-10(9)11(15)16-4/h9-10H,5-8,13H2,1-4H3
InChIKeyFZCRIQYIYOKVQG-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.85
Rot. Bonds3

About methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate

methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate (PubChem CID 120854764) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate
PubChem CID120854764
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(C)(C)N)CC1C
InChIInChI=1S/C12H24N2O2/c1-9-7-14(8-12(2,3)13)6-5-10(9)11(15)16-4/h9-10H,5-8,13H2,1-4H3
InChIKeyFZCRIQYIYOKVQG-UHFFFAOYSA-N
XLogP0.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-amino-2-methylpropyl)-2-methylpyrrolidine-3-carboxylate
CID 120857753
methyl (3S,4S)-3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxylate
CID 129399501
methyl 1-(2,2-dimethylpropyl)pyrrolidine-3-carboxylate
CID 59172147
methyl 1-acetyl-3-methylpiperidine-4-carboxylate
CID 175131976
methyl (3S,4R)-3-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylate
CID 124829938
methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 114502582
methyl 1-(2-tert-butylsulfonylethyl)-4-methylpyrrolidine-3-carboxylate
CID 113254226
[1-(2-amino-2-methylpropyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 120847877
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 78946871
methyl 3-carbamoyl-1-(2-methoxy-2-oxoethyl)piperidine-4-carboxylate
CID 67713903
methyl 1-[3-(dimethylamino)propyl]-4-methylpyrrolidine-3-carboxylate
CID 115688743
methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79874187

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate (CID 120854764) is methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate is COC(=O)C1CCN(CC(C)(C)N)CC1C.
What is the InChIKey of methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate?
The InChIKey is FZCRIQYIYOKVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-7-14(8-12(2,3)13)6-5-10(9)11(15)16-4/h9-10H,5-8,13H2,1-4H3.
What are the key properties of methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate?
methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-2-methylpropyl)-3-methylpiperidine-4-carboxylate is sourced from PubChem (CID 120854764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).