methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate

C11H21NO2 — CID 105452324

IUPACmethyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C)C(C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)10-7-9(11(13)14-4)5-6-12(10)3/h8-10H,5-7H2,1-4H3
InChIKeyJKKJIVBMQAKMPU-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.53
Rot. Bonds2

About methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate

methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate (PubChem CID 105452324) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate
PubChem CID105452324
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C)C(C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)10-7-9(11(13)14-4)5-6-12(10)3/h8-10H,5-7H2,1-4H3
InChIKeyJKKJIVBMQAKMPU-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate (CID 105452324) is methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate is COC(=O)C1CCN(C)C(C(C)C)C1.
What is the InChIKey of methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate?
The InChIKey is JKKJIVBMQAKMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)10-7-9(11(13)14-4)5-6-12(10)3/h8-10H,5-7H2,1-4H3.
What are the key properties of methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate?
methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2-propan-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 105452324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).