ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate

C12H23NO3 — CID 107393414

IUPACethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCCC(C)(OC)C1
InChIInChI=1S/C12H23NO3/c1-4-16-11(14)6-9-13-8-5-7-12(2,10-13)15-3/h4-10H2,1-3H3
InChIKeyZWALQTLZQLSGLL-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.44
Rot. Bonds5

About ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate

ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate (PubChem CID 107393414) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate
PubChem CID107393414
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate
SMILESCCOC(=O)CCN1CCCC(C)(OC)C1
InChIInChI=1S/C12H23NO3/c1-4-16-11(14)6-9-13-8-5-7-12(2,10-13)15-3/h4-10H2,1-3H3
InChIKeyZWALQTLZQLSGLL-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxy-3-methylpiperidin-1-yl)propanehydrazide
CID 107395837
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
ethyl 3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62922576
2-amino-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394759
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
CID 107394409
ethyl 3-[3-(3-ethoxy-3-oxopropyl)imidazolidin-1-yl]propanoate
CID 139659008
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
1-[(3-methoxy-3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 107393225
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107393709
2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394779
1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine
CID 107393619

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate?
The IUPAC name of ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate (CID 107393414) is ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate is CCOC(=O)CCN1CCCC(C)(OC)C1.
What is the InChIKey of ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate?
The InChIKey is ZWALQTLZQLSGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-16-11(14)6-9-13-8-5-7-12(2,10-13)15-3/h4-10H2,1-3H3.
What are the key properties of ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate?
ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate has a molecular weight of 229.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methoxy-3-methylpiperidin-1-yl)propanoate is sourced from PubChem (CID 107393414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).