methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate

C11H21NO2 — CID 14810577

IUPACmethyl 3-(2,6-dimethylpiperidin-1-yl)propanoate
SMILESCOC(=O)CCN1C(C)CCCC1C
InChIInChI=1S/C11H21NO2/c1-9-5-4-6-10(2)12(9)8-7-11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyWQTQTYMJDRTYQY-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds3

About methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate

methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate (PubChem CID 14810577) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,6-dimethylpiperidin-1-yl)propanoate
PubChem CID14810577
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 3-(2,6-dimethylpiperidin-1-yl)propanoate
SMILESCOC(=O)CCN1C(C)CCCC1C
InChIInChI=1S/C11H21NO2/c1-9-5-4-6-10(2)12(9)8-7-11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyWQTQTYMJDRTYQY-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
CID 92917685
methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride
CID 20846518
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
methyl 3-[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]propanoate
CID 129374649
methyl 2-[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462531
4-(2,6-dimethylpiperidin-1-yl)butan-1-ol
CID 19867661
methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate
CID 127581766
ethyl 2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethoxy]acetate
CID 104967849
methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate
CID 104968691
methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate
CID 83021986
methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 43174199
methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 62011671

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate?
The IUPAC name of methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate (CID 14810577) is methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate is COC(=O)CCN1C(C)CCCC1C.
What is the InChIKey of methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate?
The InChIKey is WQTQTYMJDRTYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-5-4-6-10(2)12(9)8-7-11(13)14-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate?
methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate is sourced from PubChem (CID 14810577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).