ethyl 2,3,5-trimethylpiperidine-1-carboxylate

C11H21NO2 — CID 114597475

IUPACethyl 2,3,5-trimethylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C11H21NO2/c1-5-14-11(13)12-7-8(2)6-9(3)10(12)4/h8-10H,5-7H2,1-4H3
InChIKeyBDRRZNIOUFMVHC-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.51
Rot. Bonds1

About ethyl 2,3,5-trimethylpiperidine-1-carboxylate

ethyl 2,3,5-trimethylpiperidine-1-carboxylate (PubChem CID 114597475) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2,3,5-trimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,3,5-trimethylpiperidine-1-carboxylate
PubChem CID114597475
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2,3,5-trimethylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C11H21NO2/c1-5-14-11(13)12-7-8(2)6-9(3)10(12)4/h8-10H,5-7H2,1-4H3
InChIKeyBDRRZNIOUFMVHC-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2R)-2-methylaziridine-1-carboxylate
CID 129364107
ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate
CID 114593949
4-hydroxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114597476
2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
CID 114594573
1-(2,3,5-trimethylpiperidin-1-yl)butane-1,3-dione
CID 114593177
(2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 104939664
ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596345
2,2-dimethyl-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114597477
2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetohydrazide
CID 114594555
4-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114593083
3-amino-4-oxo-4-(2,3,5-trimethylpiperidin-1-yl)butanoic acid
CID 114593012
3-amino-2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-1-one
CID 114593024

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3,5-trimethylpiperidine-1-carboxylate?
The IUPAC name of ethyl 2,3,5-trimethylpiperidine-1-carboxylate (CID 114597475) is ethyl 2,3,5-trimethylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 2,3,5-trimethylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 2,3,5-trimethylpiperidine-1-carboxylate is CCOC(=O)N1CC(C)CC(C)C1C.
What is the InChIKey of ethyl 2,3,5-trimethylpiperidine-1-carboxylate?
The InChIKey is BDRRZNIOUFMVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-14-11(13)12-7-8(2)6-9(3)10(12)4/h8-10H,5-7H2,1-4H3.
What are the key properties of ethyl 2,3,5-trimethylpiperidine-1-carboxylate?
ethyl 2,3,5-trimethylpiperidine-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3,5-trimethylpiperidine-1-carboxylate is sourced from PubChem (CID 114597475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).