methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate

C12H24N2O2 — CID 60692147

IUPACmethyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate
SMILESCOC(=O)CCNCCC1CCCCN1C
InChIInChI=1S/C12H24N2O2/c1-14-10-4-3-5-11(14)6-8-13-9-7-12(15)16-2/h11,13H,3-10H2,1-2H3
InChIKeyZYEFMJZTPNCHGT-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate

methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate (PubChem CID 60692147) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate
PubChem CID60692147
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate
SMILESCOC(=O)CCNCCC1CCCCN1C
InChIInChI=1S/C12H24N2O2/c1-14-10-4-3-5-11(14)6-8-13-9-7-12(15)16-2/h11,13H,3-10H2,1-2H3
InChIKeyZYEFMJZTPNCHGT-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate
CID 114283759
methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62026994
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide
CID 55066683
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185
2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 63712568
methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 43174199
4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107914068
N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416081
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate?
The IUPAC name of methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate (CID 60692147) is methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate.
What is the SMILES notation for methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate?
The canonical SMILES for methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate is COC(=O)CCNCCC1CCCCN1C.
What is the InChIKey of methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate?
The InChIKey is ZYEFMJZTPNCHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-14-10-4-3-5-11(14)6-8-13-9-7-12(15)16-2/h11,13H,3-10H2,1-2H3.
What are the key properties of methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate?
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate is sourced from PubChem (CID 60692147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).