1-benzyl-2-methylpiperidine-2-carboxylate

C14H18NO2- — CID 71434868

IUPAC1-benzyl-2-methylpiperidine-2-carboxylate
SMILESCC1(C(=O)[O-])CCCCN1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(13(16)17)9-5-6-10-15(14)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,16,17)/p-1
InChIKeyUBTXVNRZRAHWCN-UHFFFAOYSA-M
MW232.30 g/mol
LogP1.18
Rot. Bonds3

About 1-benzyl-2-methylpiperidine-2-carboxylate

1-benzyl-2-methylpiperidine-2-carboxylate (PubChem CID 71434868) has the molecular formula C14H18NO2- and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-benzyl-2-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Name1-benzyl-2-methylpiperidine-2-carboxylate
PubChem CID71434868
Molecular FormulaC14H18NO2-
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name1-benzyl-2-methylpiperidine-2-carboxylate
SMILESCC1(C(=O)[O-])CCCCN1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(13(16)17)9-5-6-10-15(14)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,16,17)/p-1
InChIKeyUBTXVNRZRAHWCN-UHFFFAOYSA-M
XLogP1.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate
CID 159928526
[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
CID 97184583
2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 113431089
1-[(3-bromophenyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 104598930
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
2-methyl-1-[(4-propoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 104599147
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
1-[(3-bromofuran-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 106889590
1-[(3-chloro-5-fluorophenyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 114454983
1-[(3-chloro-4-pyridinyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 113431096
4-[(2-benzyl-2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 122032957
1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79976831

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methylpiperidine-2-carboxylate?
The IUPAC name of 1-benzyl-2-methylpiperidine-2-carboxylate (CID 71434868) is 1-benzyl-2-methylpiperidine-2-carboxylate.
What is the SMILES notation for 1-benzyl-2-methylpiperidine-2-carboxylate?
The canonical SMILES for 1-benzyl-2-methylpiperidine-2-carboxylate is CC1(C(=O)[O-])CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methylpiperidine-2-carboxylate?
The InChIKey is UBTXVNRZRAHWCN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19NO2/c1-14(13(16)17)9-5-6-10-15(14)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,16,17)/p-1.
What are the key properties of 1-benzyl-2-methylpiperidine-2-carboxylate?
1-benzyl-2-methylpiperidine-2-carboxylate has a molecular weight of 232.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methylpiperidine-2-carboxylate is sourced from PubChem (CID 71434868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).