tert-butyl 4-methylpiperidine-2-carboxylate

C11H21NO2 — CID 19049828

IUPACtert-butyl 4-methylpiperidine-2-carboxylate
SMILESCC1CCNC(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21NO2/c1-8-5-6-12-9(7-8)10(13)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyOQUBIZHHSFEVDY-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds1

About tert-butyl 4-methylpiperidine-2-carboxylate

tert-butyl 4-methylpiperidine-2-carboxylate (PubChem CID 19049828) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 4-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methylpiperidine-2-carboxylate
PubChem CID19049828
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 4-methylpiperidine-2-carboxylate
SMILESCC1CCNC(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21NO2/c1-8-5-6-12-9(7-8)10(13)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyOQUBIZHHSFEVDY-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methylpiperidine-2-carboxylate?
The IUPAC name of tert-butyl 4-methylpiperidine-2-carboxylate (CID 19049828) is tert-butyl 4-methylpiperidine-2-carboxylate.
What is the SMILES notation for tert-butyl 4-methylpiperidine-2-carboxylate?
The canonical SMILES for tert-butyl 4-methylpiperidine-2-carboxylate is CC1CCNC(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 4-methylpiperidine-2-carboxylate?
The InChIKey is OQUBIZHHSFEVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-5-6-12-9(7-8)10(13)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of tert-butyl 4-methylpiperidine-2-carboxylate?
tert-butyl 4-methylpiperidine-2-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methylpiperidine-2-carboxylate is sourced from PubChem (CID 19049828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).