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

C13H26N2O2 — CID 114283759

IUPACmethyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate
SMILESCOC(=O)CC(C)NCCC1CCCCN1C
InChIInChI=1S/C13H26N2O2/c1-11(10-13(16)17-3)14-8-7-12-6-4-5-9-15(12)2/h11-12,14H,4-10H2,1-3H3
InChIKeyXIQMWEQAILTTEZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

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

methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate (PubChem CID 114283759) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate
PubChem CID114283759
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate
SMILESCOC(=O)CC(C)NCCC1CCCCN1C
InChIInChI=1S/C13H26N2O2/c1-11(10-13(16)17-3)14-8-7-12-6-4-5-9-15(12)2/h11-12,14H,4-10H2,1-3H3
InChIKeyXIQMWEQAILTTEZ-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(1-methylpiperidin-2-yl)ethylsulfinyl]butanoate
CID 107913251
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate
CID 60692147
3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide
CID 103914140
methyl 3-(cyclopentylmethylamino)butanoate
CID 43536965
methyl (2S)-3-methyl-2-[(1-methylpiperidin-2-yl)methylamino]butanoate
CID 55099753
methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate
CID 83982223
3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pentan-2-amine
CID 75504470
methyl 4-methyl-2-[(1-methylpiperidin-2-yl)methylamino]pentanoate
CID 55100278
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
CID 106020086
1-chloro-4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-3-amine
CID 106353823
methyl 3-[ethyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62026994
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate?
The IUPAC name of methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate (CID 114283759) is methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate.
What is the SMILES notation for methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate?
The canonical SMILES for methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate is COC(=O)CC(C)NCCC1CCCCN1C.
What is the InChIKey of methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate?
The InChIKey is XIQMWEQAILTTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(10-13(16)17-3)14-8-7-12-6-4-5-9-15(12)2/h11-12,14H,4-10H2,1-3H3.
What are the key properties of methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate?
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate has a molecular weight of 242.36 g/mol, XLogP of 1.40, 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]butanoate is sourced from PubChem (CID 114283759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).