ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate

C13H25NO2 — CID 70795313

IUPACethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-6-16-11(15)14-9-7-13(5,8-10-14)12(2,3)4/h6-10H2,1-5H3
InChIKeyYDRKGKUPZHMCNS-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.29
Rot. Bonds1

About ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate

ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate (PubChem CID 70795313) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
PubChem CID70795313
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C)(C(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-6-16-11(15)14-9-7-13(5,8-10-14)12(2,3)4/h6-10H2,1-5H3
InChIKeyYDRKGKUPZHMCNS-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate 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

tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
ethyl 4-hydroxy-4-methylazepane-1-carboxylate
CID 107406895
ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate
CID 129156425
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-methyl-4-propylazepane-1-carboxylate
CID 146751878
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
1-O-tert-butyl 4-O-ethyl 4-ethenylpiperidine-1,4-dicarboxylate
CID 118176170
ethyl (3S)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487950
ethyl 4-hydroxy-4-(oxiran-2-ylmethyl)piperidine-1-carboxylate
CID 10421345
ethyl (3R)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 93487951
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471

Frequently Asked Questions

What is the IUPAC name of ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate (CID 70795313) is ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate is CCOC(=O)N1CCC(C)(C(C)(C)C)CC1.
What is the InChIKey of ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate?
The InChIKey is YDRKGKUPZHMCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-6-16-11(15)14-9-7-13(5,8-10-14)12(2,3)4/h6-10H2,1-5H3.
What are the key properties of ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate?
ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-tert-butyl-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 70795313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).