methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate

C13H25NO2 — CID 63158675

IUPACmethyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate
SMILESCCC1(C)CCN(C(C)CC(=O)OC)CC1
InChIInChI=1S/C13H25NO2/c1-5-13(3)6-8-14(9-7-13)11(2)10-12(15)16-4/h11H,5-10H2,1-4H3
InChIKeyOAHRUQGRQMULAB-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds4

About methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate

methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate (PubChem CID 63158675) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate
PubChem CID63158675
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate
SMILESCCC1(C)CCN(C(C)CC(=O)OC)CC1
InChIInChI=1S/C13H25NO2/c1-5-13(3)6-8-14(9-7-13)11(2)10-12(15)16-4/h11H,5-10H2,1-4H3
InChIKeyOAHRUQGRQMULAB-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate 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

methyl 3-(3-hydroxy-3-methylpyrrolidin-1-yl)butanoate
CID 103356687
methyl 3-(4-hydroxy-4-methylazepan-1-yl)butanoate
CID 107405180
methyl (3R)-3-pyrrolidin-1-ylbutanoate
CID 93106309
methyl (3S)-3-piperidin-1-ylbutanoate
CID 93106362
methyl 2-amino-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanoate
CID 64703969
1-(4-ethyl-4-methylpiperidin-1-yl)-2-methoxypropan-1-one
CID 112688285
2-(4-ethyl-4-methylpiperidin-1-yl)propan-1-amine
CID 63157136
methyl 3-(4-methylsulfonylpiperazin-1-yl)butanoate
CID 62993471
methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate
CID 120873006
methyl 3-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]butanoate;hydrochloride
CID 120873005
2-(4-ethyl-4-methylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 63158465
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate
CID 63609412

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate?
The IUPAC name of methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate (CID 63158675) is methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate.
What is the SMILES notation for methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate?
The canonical SMILES for methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate is CCC1(C)CCN(C(C)CC(=O)OC)CC1.
What is the InChIKey of methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate?
The InChIKey is OAHRUQGRQMULAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-13(3)6-8-14(9-7-13)11(2)10-12(15)16-4/h11H,5-10H2,1-4H3.
What are the key properties of methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate?
methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate has a molecular weight of 227.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethyl-4-methylpiperidin-1-yl)butanoate is sourced from PubChem (CID 63158675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).