methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride

C11H22ClNO2 — CID 167994766

IUPACmethyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCC(C(C)(C)C)C1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-11(2,3)9-5-8(6-12-7-9)10(13)14-4;/h8-9,12H,5-7H2,1-4H3;1H
InChIKeyJRYLTVZRVGGBLI-UHFFFAOYSA-N
MW235.75 g/mol
LogP1.85
Rot. Bonds1

About methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride

methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride (PubChem CID 167994766) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride
PubChem CID167994766
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Namemethyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCC(C(C)(C)C)C1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-11(2,3)9-5-8(6-12-7-9)10(13)14-4;/h8-9,12H,5-7H2,1-4H3;1H
InChIKeyJRYLTVZRVGGBLI-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride 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

dimethyl (3R,5R)-piperidine-3,5-dicarboxylate
CID 69137212
methyl 5-methylpiperidine-3-carboxylate;hydrochloride
CID 75464874
methyl (3R)-5-methylpiperidine-3-carboxylate
CID 178133263
methyl (3S,5S)-5-methoxypiperidine-3-carboxylate
CID 124509731
methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
CID 154814550
methyl 5-phenylpiperidine-3-carboxylate;hydrochloride
CID 91798805
dimethyl 4-tert-butylcyclopentane-1,2-dicarboxylate
CID 545084
methyl (3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]piperidine-3-carboxylate
CID 155905301
methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride
CID 91798796
methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate
CID 124547363
methyl pyrrolidine-3-carboxylate
CID 4114360
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867

Frequently Asked Questions

What is the IUPAC name of methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride (CID 167994766) is methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride is COC(=O)C1CNCC(C(C)(C)C)C1.Cl.
What is the InChIKey of methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride?
The InChIKey is JRYLTVZRVGGBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-11(2,3)9-5-8(6-12-7-9)10(13)14-4;/h8-9,12H,5-7H2,1-4H3;1H.
What are the key properties of methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride?
methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 167994766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).