methyl 3-[methyl(piperidin-4-yl)amino]propanoate

C10H20N2O2 — CID 43607745

IUPACmethyl 3-[methyl(piperidin-4-yl)amino]propanoate
SMILESCOC(=O)CCN(C)C1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-12(8-5-10(13)14-2)9-3-6-11-7-4-9/h9,11H,3-8H2,1-2H3
InChIKeyXUGVBQYWPISEFN-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds4

About methyl 3-[methyl(piperidin-4-yl)amino]propanoate

methyl 3-[methyl(piperidin-4-yl)amino]propanoate (PubChem CID 43607745) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 3-[methyl(piperidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(piperidin-4-yl)amino]propanoate
PubChem CID43607745
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 3-[methyl(piperidin-4-yl)amino]propanoate
SMILESCOC(=O)CCN(C)C1CCNCC1
InChIInChI=1S/C10H20N2O2/c1-12(8-5-10(13)14-2)9-3-6-11-7-4-9/h9,11H,3-8H2,1-2H3
InChIKeyXUGVBQYWPISEFN-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(4-aminopiperidin-1-yl)propanoate dihydrochloride
CID 57436991
Methyl 3-(cyclohexylamino)propanoate
CID 11458109
Methyl 3-(3-methylpiperazin-1-yl)propanoate
CID 65449770
Methyl 2,2-dimethyl-3-[(piperidin-4-yl)amino]propanoate
CID 139022432
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
Butanoic acid, 3-((3-(2-methyl-1-piperidinyl)propyl)amino)-
CID 56146
Methyl 2-amino-3-(piperidin-1-yl)propanoate
CID 10988984
Methyl 3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propanoate
CID 43774757

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(piperidin-4-yl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(piperidin-4-yl)amino]propanoate (CID 43607745) is methyl 3-[methyl(piperidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(piperidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(piperidin-4-yl)amino]propanoate is COC(=O)CCN(C)C1CCNCC1.
What is the InChIKey of methyl 3-[methyl(piperidin-4-yl)amino]propanoate?
The InChIKey is XUGVBQYWPISEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-12(8-5-10(13)14-2)9-3-6-11-7-4-9/h9,11H,3-8H2,1-2H3.
What are the key properties of methyl 3-[methyl(piperidin-4-yl)amino]propanoate?
methyl 3-[methyl(piperidin-4-yl)amino]propanoate has a molecular weight of 200.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(piperidin-4-yl)amino]propanoate is sourced from PubChem (CID 43607745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).