ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate

C12H24N2O2 — CID 83989535

IUPACethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate
SMILESCCOC(=O)CCC1CC(NC)CN(C)C1
InChIInChI=1S/C12H24N2O2/c1-4-16-12(15)6-5-10-7-11(13-2)9-14(3)8-10/h10-11,13H,4-9H2,1-3H3
InChIKeyAAZSCSHHJMYODB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds5

About ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate

ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate (PubChem CID 83989535) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate
PubChem CID83989535
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate
SMILESCCOC(=O)CCC1CC(NC)CN(C)C1
InChIInChI=1S/C12H24N2O2/c1-4-16-12(15)6-5-10-7-11(13-2)9-14(3)8-10/h10-11,13H,4-9H2,1-3H3
InChIKeyAAZSCSHHJMYODB-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate
CID 83996913
ethyl 3-[(3R)-1-methylpiperidin-3-yl]propanoate
CID 59958651
ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
CID 112543627
3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid
CID 83990161
ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate
CID 83992762
ethyl 3-(1-propylpiperidin-4-yl)propanoate
CID 125041797
methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
CID 112543702
ethyl 3-ethyl-5-(methylamino)piperidine-1-carboxylate
CID 83989692
ethyl N-[1-methyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543642
ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate
CID 112544906
methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83990231
3-[1-methyl-5-(3-methylbutylamino)piperidin-3-yl]propanoic acid
CID 83995532

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate?
The IUPAC name of ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate (CID 83989535) is ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate?
The canonical SMILES for ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate is CCOC(=O)CCC1CC(NC)CN(C)C1.
What is the InChIKey of ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate?
The InChIKey is AAZSCSHHJMYODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-16-12(15)6-5-10-7-11(13-2)9-14(3)8-10/h10-11,13H,4-9H2,1-3H3.
What are the key properties of ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate?
ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate has a molecular weight of 228.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate is sourced from PubChem (CID 83989535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).