methyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate

C12H21NO2 — CID 156519121

IUPACmethyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate
SMILESC=C(C)CC1(C(=O)OC)CCN[C@H](C)C1
InChIInChI=1S/C12H21NO2/c1-9(2)7-12(11(14)15-4)5-6-13-10(3)8-12/h10,13H,1,5-8H2,2-4H3/t10-,12?/m1/s1
InChIKeyIFHFGQMKESOILJ-RWANSRKNSA-N
MW211.30 g/mol
LogP1.88
Rot. Bonds3

About methyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate

methyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate (PubChem CID 156519121) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate
PubChem CID156519121
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate
SMILESC=C(C)CC1(C(=O)OC)CCN[C@H](C)C1
InChIInChI=1S/C12H21NO2/c1-9(2)7-12(11(14)15-4)5-6-13-10(3)8-12/h10,13H,1,5-8H2,2-4H3/t10-,12?/m1/s1
InChIKeyIFHFGQMKESOILJ-RWANSRKNSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate?
The IUPAC name of methyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate (CID 156519121) is methyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate?
The canonical SMILES for methyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate is C=C(C)CC1(C(=O)OC)CCN[C@H](C)C1.
What is the InChIKey of methyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate?
The InChIKey is IFHFGQMKESOILJ-RWANSRKNSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)7-12(11(14)15-4)5-6-13-10(3)8-12/h10,13H,1,5-8H2,2-4H3/t10-,12?/m1/s1.
What are the key properties of methyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate?
methyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-4-(2-methylprop-2-enyl)piperidine-4-carboxylate is sourced from PubChem (CID 156519121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).