2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid

C14H27NO2 — CID 104599300

IUPAC2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid
SMILESCC(C)CCC(C)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C14H27NO2/c1-11(2)7-8-12(3)15-10-6-5-9-14(15,4)13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyJZBUERWCNUTFCU-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.14
Rot. Bonds5

About 2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid

2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid (PubChem CID 104599300) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid
PubChem CID104599300
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid
SMILESCC(C)CCC(C)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C14H27NO2/c1-11(2)7-8-12(3)15-10-6-5-9-14(15,4)13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyJZBUERWCNUTFCU-UHFFFAOYSA-N
XLogP3.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
CID 65071376
2-methyl-1-(6,6,6-trifluorohexan-2-yl)pyrrolidine-2-carboxylic acid
CID 116536226
2-methyl-1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 104598665
2-methyl-1-(3-methylbutylsulfonyl)piperidine-2-carboxylic acid
CID 104595563
1-heptan-3-yl-2-methylpiperidine-2-carboxylic acid
CID 104599181
2-methyl-1-(6-methylheptanoyl)piperidine-2-carboxylic acid
CID 115270713
2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 65071311
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid
CID 113431131
1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid
CID 104598716
2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid
CID 104599033
1-(2-aminopropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597343
2-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-2-carboxylic acid
CID 104595515

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid (CID 104599300) is 2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid is CC(C)CCC(C)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid?
The InChIKey is JZBUERWCNUTFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)7-8-12(3)15-10-6-5-9-14(15,4)13(16)17/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid?
2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid has a molecular weight of 241.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylhexan-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104599300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).