methyl 5-tert-butylpiperidine-2-carboxylate

C11H21NO2 — CID 138987475

IUPACmethyl 5-tert-butylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCC(C(C)(C)C)CN1
InChIInChI=1S/C11H21NO2/c1-11(2,3)8-5-6-9(12-7-8)10(13)14-4/h8-9,12H,5-7H2,1-4H3
InChIKeyVPLZMFILIRPPSV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds1

About methyl 5-tert-butylpiperidine-2-carboxylate

methyl 5-tert-butylpiperidine-2-carboxylate (PubChem CID 138987475) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 5-tert-butylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-tert-butylpiperidine-2-carboxylate
PubChem CID138987475
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 5-tert-butylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCC(C(C)(C)C)CN1
InChIInChI=1S/C11H21NO2/c1-11(2,3)8-5-6-9(12-7-8)10(13)14-4/h8-9,12H,5-7H2,1-4H3
InChIKeyVPLZMFILIRPPSV-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-(trifluoromethyl)piperidine-2-carboxylate;hydrochloride
CID 164886197
methyl (2S)-aziridine-2-carboxylate
CID 10329257
6-methoxycarbonylpiperidine-3-carboxylic acid
CID 19699657
methyl 5-carbamoylpiperidine-2-carboxylate
CID 130740109
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
CID 22362314
methyl (2S,4R)-4-(trifluoromethyl)pyrrolidine-2-carboxylate;hydrochloride
CID 171397509
methyl 5-cyclohexylpiperidine-2-carboxylate
CID 146049469
methyl (2S,5R)-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxylate
CID 96530377
methyl (2S,5S)-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxylate
CID 96530381
methyl (2R,5R)-5-[4-(trifluoromethyl)phenyl]piperidine-2-carboxylate
CID 96530379
methyl (2R,5S)-5-(4-chlorophenyl)piperidine-2-carboxylate
CID 96530360
methyl (2S,3R,4R)-3-(2-cyclopropylpropan-2-yl)-4-methylpyrrolidine-2-carboxylate
CID 70879037

Frequently Asked Questions

What is the IUPAC name of methyl 5-tert-butylpiperidine-2-carboxylate?
The IUPAC name of methyl 5-tert-butylpiperidine-2-carboxylate (CID 138987475) is methyl 5-tert-butylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 5-tert-butylpiperidine-2-carboxylate?
The canonical SMILES for methyl 5-tert-butylpiperidine-2-carboxylate is COC(=O)C1CCC(C(C)(C)C)CN1.
What is the InChIKey of methyl 5-tert-butylpiperidine-2-carboxylate?
The InChIKey is VPLZMFILIRPPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)8-5-6-9(12-7-8)10(13)14-4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of methyl 5-tert-butylpiperidine-2-carboxylate?
methyl 5-tert-butylpiperidine-2-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.57, 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-2-carboxylate is sourced from PubChem (CID 138987475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).