methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate

C13H26N2O2 — CID 115353237

IUPACmethyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate
SMILESCCC(NCCN1CCC(C)CC1)C(=O)OC
InChIInChI=1S/C13H26N2O2/c1-4-12(13(16)17-3)14-7-10-15-8-5-11(2)6-9-15/h11-12,14H,4-10H2,1-3H3
InChIKeyVXFKFALHDVKJEA-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds6

About methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate

methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate (PubChem CID 115353237) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate
PubChem CID115353237
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate
SMILESCCC(NCCN1CCC(C)CC1)C(=O)OC
InChIInChI=1S/C13H26N2O2/c1-4-12(13(16)17-3)14-7-10-15-8-5-11(2)6-9-15/h11-12,14H,4-10H2,1-3H3
InChIKeyVXFKFALHDVKJEA-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid
CID 113292330
methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate
CID 103248818
methyl 4-(4-methoxypiperidin-1-yl)-2-(propylamino)butanoate
CID 63029608
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466
methyl 2-(cyclopropylmethylamino)butanoate
CID 61001350
methyl (2R)-2-(cyclopropylmethylamino)butanoate
CID 67121985
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]butanoate
CID 106024172
methyl 2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63623762
methyl 2-amino-4-(4-methylazepan-1-yl)butanoate
CID 63623785
(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 79023285
2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 62476274
N-butan-2-yl-4-(4-methylpiperidin-1-yl)butan-1-amine
CID 115709722

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate?
The IUPAC name of methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate (CID 115353237) is methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate.
What is the SMILES notation for methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate?
The canonical SMILES for methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate is CCC(NCCN1CCC(C)CC1)C(=O)OC.
What is the InChIKey of methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate?
The InChIKey is VXFKFALHDVKJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-12(13(16)17-3)14-7-10-15-8-5-11(2)6-9-15/h11-12,14H,4-10H2,1-3H3.
What are the key properties of methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate?
methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate has a molecular weight of 242.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-methylpiperidin-1-yl)ethylamino]butanoate is sourced from PubChem (CID 115353237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).