methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate

C12H24N2O2 — CID 62010889

IUPACmethyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate
SMILESCOC(=O)CCN(C)CCN1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-13(9-6-12(15)16-2)10-11-14-7-4-3-5-8-14/h3-11H2,1-2H3
InChIKeyMXVCMQQVRDLXPE-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.97
Rot. Bonds6

About methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate

methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate (PubChem CID 62010889) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate
PubChem CID62010889
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate
SMILESCOC(=O)CCN(C)CCN1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-13(9-6-12(15)16-2)10-11-14-7-4-3-5-8-14/h3-11H2,1-2H3
InChIKeyMXVCMQQVRDLXPE-UHFFFAOYSA-N
XLogP0.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate (CID 62010889) is methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate is COC(=O)CCN(C)CCN1CCCCC1.
What is the InChIKey of methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate?
The InChIKey is MXVCMQQVRDLXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-13(9-6-12(15)16-2)10-11-14-7-4-3-5-8-14/h3-11H2,1-2H3.
What are the key properties of methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate?
methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate has a molecular weight of 228.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate is sourced from PubChem (CID 62010889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).