methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate

C12H24N2O2 — CID 114503255

IUPACmethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate
SMILESCCC(NC1CCN(C)CC1C)C(=O)OC
InChIInChI=1S/C12H24N2O2/c1-5-10(12(15)16-4)13-11-6-7-14(3)8-9(11)2/h9-11,13H,5-8H2,1-4H3
InChIKeyGFPMPEFGFDMWJL-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds4

About methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate

methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate (PubChem CID 114503255) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate
PubChem CID114503255
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate
SMILESCCC(NC1CCN(C)CC1C)C(=O)OC
InChIInChI=1S/C12H24N2O2/c1-5-10(12(15)16-4)13-11-6-7-14(3)8-9(11)2/h9-11,13H,5-8H2,1-4H3
InChIKeyGFPMPEFGFDMWJL-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 944219
(S)-methyl 4-methyl-2-(piperidine-1-carboxamido)pentanoate
CID 938928
Methyl 2-[methyl(piperidin-4-yl)amino]acetate dihydrochloride
CID 22378095
Tert-butyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 45791700
Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate
CID 177798120
Butyl 2-(4-aminopiperidin-1-yl)acetate
CID 10608685
Methyl 2-(4-aminopiperidin-1-yl)acetate
CID 11435206
Methyl 2-(butylamino)-4-methylpentanoate
CID 43230585
Methyl 2-[3-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]propylamino]-3-methylbutanoate
CID 58460295
methyl (2S)-3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]butanoate
CID 43776159
Methyl 4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
CID 43782288
Methyl 3-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentanoate
CID 43788499

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate?
The IUPAC name of methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate (CID 114503255) is methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate.
What is the SMILES notation for methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate?
The canonical SMILES for methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate is CCC(NC1CCN(C)CC1C)C(=O)OC.
What is the InChIKey of methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate?
The InChIKey is GFPMPEFGFDMWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-10(12(15)16-4)13-11-6-7-14(3)8-9(11)2/h9-11,13H,5-8H2,1-4H3.
What are the key properties of methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate?
methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate has a molecular weight of 228.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate is sourced from PubChem (CID 114503255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).