methyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate

C11H22N2O2 — CID 139022432

IUPACmethyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate
SMILESCOC(=O)C(C)(C)CNC1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-11(2,10(14)15-3)8-13-9-4-6-12-7-5-9/h9,12-13H,4-8H2,1-3H3
InChIKeyFOKXSBQVBFMAPM-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.53
Rot. Bonds4

About methyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate

methyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate (PubChem CID 139022432) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate
PubChem CID139022432
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate
SMILESCOC(=O)C(C)(C)CNC1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-11(2,10(14)15-3)8-13-9-4-6-12-7-5-9/h9,12-13H,4-8H2,1-3H3
InChIKeyFOKXSBQVBFMAPM-UHFFFAOYSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(4-aminopiperidin-1-yl)propanoate dihydrochloride
CID 57436991
2,2-Dimethyl-3-((piperidin-4-yl)amino)propanoic acid dihydrochloride
CID 139026367
Methyl 1-(piperidin-4-yl)azetidine-3-carboxylate dihydrochloride
CID 165687742
1-Piperidinepropanoic acid, alpha-methyl-, methyl ester, hydrochloride
CID 177843089
Methyl 3-(4-aminopiperidin-1-yl)propanoate
CID 18969347
Ethyl 2,2-difluoro-3-(piperidin-4-ylamino)propanoate
CID 153362097
Methyl 1-(piperidin-4-yl)azetidine-3-carboxylate
CID 156620432
Methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
CID 43774757
2,2-Dimethyl-3-[(piperidin-4-yl)amino]propanoic acid
CID 139026368
Methyl 3-piperidin-1-ium-1-ylpropanoate
CID 5151976
3-[(1-Methyl-4-piperidyl)amino]propanoic acid
CID 5126105
Ethyl 3-(4-aminopiperidin-1-yl)propanoate
CID 10750549

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate?
The IUPAC name of methyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate (CID 139022432) is methyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate is COC(=O)C(C)(C)CNC1CCNCC1.
What is the InChIKey of methyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate?
The InChIKey is FOKXSBQVBFMAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,10(14)15-3)8-13-9-4-6-12-7-5-9/h9,12-13H,4-8H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate?
methyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(piperidin-4-ylamino)propanoate is sourced from PubChem (CID 139022432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).