methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate

C13H25NO2 — CID 79407214

IUPACmethyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate
SMILESCCC1CCCCN1C(C)C(C)C(=O)OC
InChIInChI=1S/C13H25NO2/c1-5-12-8-6-7-9-14(12)11(3)10(2)13(15)16-4/h10-12H,5-9H2,1-4H3
InChIKeyAMGREAADCRIUGM-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.45
Rot. Bonds4

About methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate

methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate (PubChem CID 79407214) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate
PubChem CID79407214
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate
SMILESCCC1CCCCN1C(C)C(C)C(=O)OC
InChIInChI=1S/C13H25NO2/c1-5-12-8-6-7-9-14(12)11(3)10(2)13(15)16-4/h10-12H,5-9H2,1-4H3
InChIKeyAMGREAADCRIUGM-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

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Related Compounds

methyl 3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylbutanoate
CID 79407384
3-(2-ethylpiperidin-1-yl)butanehydrazide
CID 63573262
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444
2-(2-ethylpiperidin-1-yl)propanoyl chloride
CID 82040582
3-(2-ethylazepan-1-yl)-N-methylbutan-2-amine
CID 104689505
3-(2-ethylpyrrolidin-1-yl)butan-2-amine
CID 61354577
methyl 2-bromo-3-(2-ethylpiperidin-1-yl)propanoate
CID 81100236
2-(2-ethylazepan-1-yl)butanamide
CID 104691437
3-amino-2-(2-ethylpiperidin-1-yl)propan-1-ol
CID 104710817
N-[3-(2-ethylpiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79408489
methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55145067
methyl 2-[(2-ethylpiperidine-1-carbonyl)amino]-3-methylpentanoate
CID 3987418

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate?
The IUPAC name of methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate (CID 79407214) is methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate.
What is the SMILES notation for methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate?
The canonical SMILES for methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate is CCC1CCCCN1C(C)C(C)C(=O)OC.
What is the InChIKey of methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate?
The InChIKey is AMGREAADCRIUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-12-8-6-7-9-14(12)11(3)10(2)13(15)16-4/h10-12H,5-9H2,1-4H3.
What are the key properties of methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate?
methyl 3-(2-ethylpiperidin-1-yl)-2-methylbutanoate 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-(2-ethylpiperidin-1-yl)-2-methylbutanoate is sourced from PubChem (CID 79407214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).