2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid

C14H26N2O2 — CID 104599068

IUPAC2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid
SMILESCN1CCCC(N2CCCCC2(C)C(=O)O)CC1
InChIInChI=1S/C14H26N2O2/c1-14(13(17)18)8-3-4-10-16(14)12-6-5-9-15(2)11-7-12/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyXOTKLJOOMWRAGN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds2

About 2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid

2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid (PubChem CID 104599068) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid
PubChem CID104599068
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid
SMILESCN1CCCC(N2CCCCC2(C)C(=O)O)CC1
InChIInChI=1S/C14H26N2O2/c1-14(13(17)18)8-3-4-10-16(14)12-6-5-9-15(2)11-7-12/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyXOTKLJOOMWRAGN-UHFFFAOYSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
CID 104599255
1-(4-tert-butylcyclohexyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65071175
1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 65071018
1-(4-tert-butylcycloheptyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65094686
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)piperidine-2-carboxylic acid
CID 104598676
1,2-dimethylpiperidine-2-carboxylic acid
CID 73440704
1-(2,4-dimethylcyclohexyl)-2-methylpiperidine-2-carboxylic acid
CID 113431183
2-methyl-1-(2-methyloxolan-3-yl)piperidine-2-carboxylic acid
CID 104599130
4-(2,2-dimethylpiperazin-1-yl)-1-methylazepane
CID 65461906
1-(5,5-dimethylthian-3-yl)-2-methylpyrrolidine-2-carboxylic acid
CID 79946409
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
1-(1-methylazepan-4-yl)azepane-2-carboxylic acid
CID 65072667

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid (CID 104599068) is 2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid is CN1CCCC(N2CCCCC2(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid?
The InChIKey is XOTKLJOOMWRAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(13(17)18)8-3-4-10-16(14)12-6-5-9-15(2)11-7-12/h12H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid?
2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylazepan-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104599068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).