methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate

C12H24N2O2 — CID 83021986

IUPACmethyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate
SMILESCOC(=O)CC(C)NN1C(C)CCCC1C
InChIInChI=1S/C12H24N2O2/c1-9(8-12(15)16-4)13-14-10(2)6-5-7-11(14)3/h9-11,13H,5-8H2,1-4H3
InChIKeyNESQILUEKSWQSI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.71
Rot. Bonds4

About methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate

methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate (PubChem CID 83021986) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate
PubChem CID83021986
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate
SMILESCOC(=O)CC(C)NN1C(C)CCCC1C
InChIInChI=1S/C12H24N2O2/c1-9(8-12(15)16-4)13-14-10(2)6-5-7-11(14)3/h9-11,13H,5-8H2,1-4H3
InChIKeyNESQILUEKSWQSI-UHFFFAOYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-methylpiperidin-1-yl)butanoate
CID 43537243
methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]-2-methylpropanoate
CID 83021227
methyl 3-(cyclopentylmethylamino)butanoate
CID 43536965
2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid
CID 103261111
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one
CID 103715028
methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate
CID 127581766
N-(1-methoxy-3-methylbutan-2-yl)-2,6-dimethylpiperidin-1-amine
CID 83006627
methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate
CID 14810577
N-hexan-2-yl-2,6-dimethylpiperidin-1-amine
CID 83007121
methyl 3-[(2-aminocyclopentanecarbonyl)amino]butanoate
CID 119695162
2-[(2,6-dimethylpiperidin-1-yl)amino]-N-prop-2-ynylpropanamide
CID 83022196
N-(2,6-dimethylpiperidin-1-yl)-2-methoxyacetamide
CID 70906561

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate?
The IUPAC name of methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate (CID 83021986) is methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate.
What is the SMILES notation for methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate?
The canonical SMILES for methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate is COC(=O)CC(C)NN1C(C)CCCC1C.
What is the InChIKey of methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate?
The InChIKey is NESQILUEKSWQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(8-12(15)16-4)13-14-10(2)6-5-7-11(14)3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate?
methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate has a molecular weight of 228.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate is sourced from PubChem (CID 83021986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).