ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate

C14H28N2O2 — CID 83041204

IUPACethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
SMILESCCCC(NCC1CCN(C)CC1)C(=O)OCC
InChIInChI=1S/C14H28N2O2/c1-4-6-13(14(17)18-5-2)15-11-12-7-9-16(3)10-8-12/h12-13,15H,4-11H2,1-3H3
InChIKeyUGVMDABRLYAXMC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds7

About ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate

ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate (PubChem CID 83041204) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
PubChem CID83041204
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
SMILESCCCC(NCC1CCN(C)CC1)C(=O)OCC
InChIInChI=1S/C14H28N2O2/c1-4-6-13(14(17)18-5-2)15-11-12-7-9-16(3)10-8-12/h12-13,15H,4-11H2,1-3H3
InChIKeyUGVMDABRLYAXMC-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(oxolan-3-ylmethylamino)pentanoate
CID 79041046
ethyl 2-(ethylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274259
ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate
CID 107163692
ethyl 2-(2-cyclopropylethylamino)pentanoate
CID 79040275
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 114515449
ethyl 2-(cyclopropylmethylamino)-5-methylsulfanylpentanoate
CID 103089350
ethyl 2-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 63274639
ethyl 2-(ethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 63972958
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 2-(oxan-4-ylmethylamino)butanoate
CID 64670157
ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate?
The IUPAC name of ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate (CID 83041204) is ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate.
What is the SMILES notation for ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate?
The canonical SMILES for ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate is CCCC(NCC1CCN(C)CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate?
The InChIKey is UGVMDABRLYAXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-6-13(14(17)18-5-2)15-11-12-7-9-16(3)10-8-12/h12-13,15H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate?
ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate is sourced from PubChem (CID 83041204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).