methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate

C11H22N2O2 — CID 79406986

IUPACmethyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)N1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-8(11(14)15-3)9(2)13-6-4-10(12)5-7-13/h8-10H,4-7,12H2,1-3H3
InChIKeyXFGKDXSVUXALCL-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.61
Rot. Bonds3

About methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate

methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate (PubChem CID 79406986) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate
PubChem CID79406986
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)N1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-8(11(14)15-3)9(2)13-6-4-10(12)5-7-13/h8-10H,4-7,12H2,1-3H3
InChIKeyXFGKDXSVUXALCL-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 103498157
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 79414057
ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate
CID 79414013
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 112626240
methyl 2-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]butanoate
CID 79414420
methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 79413832
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylbutanoate
CID 115560448
methyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylbutanoate
CID 81097557
methyl 2-methyl-3-(3-methylpiperidin-1-yl)butanoate
CID 79406800
methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate
CID 79414044
methyl 3-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylbutanoate
CID 107456494
2-[1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)piperidin-4-yl]acetamide
CID 79409446

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate?
The IUPAC name of methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate (CID 79406986) is methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate.
What is the SMILES notation for methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate?
The canonical SMILES for methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate is COC(=O)C(C)C(C)N1CCC(N)CC1.
What is the InChIKey of methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate?
The InChIKey is XFGKDXSVUXALCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(11(14)15-3)9(2)13-6-4-10(12)5-7-13/h8-10H,4-7,12H2,1-3H3.
What are the key properties of methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate?
methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate has a molecular weight of 214.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate is sourced from PubChem (CID 79406986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).