lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate

C15H20LiNO2 — CID 159928526

IUPAClithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate
SMILESCc1ccc(CN2CCCC[C@]2(C)C(=O)[O-])cc1.[Li+]
InChIInChI=1S/C15H21NO2.Li/c1-12-5-7-13(8-6-12)11-16-10-4-3-9-15(16,2)14(17)18;/h5-8H,3-4,9-11H2,1-2H3,(H,17,18);/q;+1/p-1/t15-;/m1./s1
InChIKeyGEBWDZMMNZGXCO-XFULWGLBSA-M
MW253.27 g/mol
LogP-1.51
Rot. Bonds3

About lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate

lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate (PubChem CID 159928526) has the molecular formula C15H20LiNO2 and a molecular weight of 253.27 g/mol. Its IUPAC name is lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namelithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate
PubChem CID159928526
Molecular FormulaC15H20LiNO2
Molecular Weight253.27 g/mol
Exact Mass253.17
IUPAC Namelithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate
SMILESCc1ccc(CN2CCCC[C@]2(C)C(=O)[O-])cc1.[Li+]
InChIInChI=1S/C15H21NO2.Li/c1-12-5-7-13(8-6-12)11-16-10-4-3-9-15(16,2)14(17)18;/h5-8H,3-4,9-11H2,1-2H3,(H,17,18);/q;+1/p-1/t15-;/m1./s1
InChIKeyGEBWDZMMNZGXCO-XFULWGLBSA-M
XLogP-1.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-methylpiperidine-2-carboxylate
CID 71434868
2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 113431089
2-methyl-1-[(4-propoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 104599147
1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79976831
1-(1,3-benzodioxol-5-ylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598777
(2R)-2-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-2-carboxamide
CID 99854717
1-[(3-bromophenyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 104598930
1-[(3-bromofuran-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 106889590
1-[(3-chloro-4-pyridinyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 113431096
2-methyl-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 65071225
1-[(3-chloro-5-fluorophenyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 114454983
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 55220247

Frequently Asked Questions

What is the IUPAC name of lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate (CID 159928526) is lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate is Cc1ccc(CN2CCCC[C@]2(C)C(=O)[O-])cc1.[Li+].
What is the InChIKey of lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate?
The InChIKey is GEBWDZMMNZGXCO-XFULWGLBSA-M. The full InChI is InChI=1S/C15H21NO2.Li/c1-12-5-7-13(8-6-12)11-16-10-4-3-9-15(16,2)14(17)18;/h5-8H,3-4,9-11H2,1-2H3,(H,17,18);/q;+1/p-1/t15-;/m1./s1.
What are the key properties of lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate?
lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate has a molecular weight of 253.27 g/mol, XLogP of -1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 159928526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).