methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate

C14H28N2O2 — CID 63159036

IUPACmethyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate
SMILESCCC1(C)CCN(CCC(C)(N)C(=O)OC)CC1
InChIInChI=1S/C14H28N2O2/c1-5-13(2)6-9-16(10-7-13)11-8-14(3,15)12(17)18-4/h5-11,15H2,1-4H3
InChIKeyZZCYHLXOKOFYLP-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds5

About methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate

methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate (PubChem CID 63159036) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate
PubChem CID63159036
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate
SMILESCCC1(C)CCN(CCC(C)(N)C(=O)OC)CC1
InChIInChI=1S/C14H28N2O2/c1-5-13(2)6-9-16(10-7-13)11-8-14(3,15)12(17)18-4/h5-11,15H2,1-4H3
InChIKeyZZCYHLXOKOFYLP-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate
CID 64703969
2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide
CID 63158997
methyl 2-amino-6-(4,4-dimethylazepan-1-yl)-2-methylhexanoate
CID 65281847
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 63159082
methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate
CID 63971410
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 63158993
6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295886
ethyl 2-(cyclopropylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpropanoate
CID 63159620
methyl 2-amino-4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylbutanoate
CID 63151003
methyl 2-amino-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55152396
N-tert-butyl-4-(4-ethyl-4-methylpiperidin-1-yl)butan-1-amine
CID 63163483
methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate
CID 65301393

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate?
The IUPAC name of methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate (CID 63159036) is methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate.
What is the SMILES notation for methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate?
The canonical SMILES for methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate is CCC1(C)CCN(CCC(C)(N)C(=O)OC)CC1.
What is the InChIKey of methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate?
The InChIKey is ZZCYHLXOKOFYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-13(2)6-9-16(10-7-13)11-8-14(3,15)12(17)18-4/h5-11,15H2,1-4H3.
What are the key properties of methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate?
methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate has a molecular weight of 256.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutanoate is sourced from PubChem (CID 63159036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).