2-methyl-1-octylpiperidine-4-carboxylic acid

C15H29NO2 — CID 106744771

IUPAC2-methyl-1-octylpiperidine-4-carboxylic acid
SMILESCCCCCCCCN1CCC(C(=O)O)CC1C
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-7-8-10-16-11-9-14(15(17)18)12-13(16)2/h13-14H,3-12H2,1-2H3,(H,17,18)
InChIKeyFSGDWGWIQAMVEW-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.53
Rot. Bonds8

About 2-methyl-1-octylpiperidine-4-carboxylic acid

2-methyl-1-octylpiperidine-4-carboxylic acid (PubChem CID 106744771) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-methyl-1-octylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-octylpiperidine-4-carboxylic acid
PubChem CID106744771
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-methyl-1-octylpiperidine-4-carboxylic acid
SMILESCCCCCCCCN1CCC(C(=O)O)CC1C
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-7-8-10-16-11-9-14(15(17)18)12-13(16)2/h13-14H,3-12H2,1-2H3,(H,17,18)
InChIKeyFSGDWGWIQAMVEW-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-2-methylpiperidine-4-carboxylic acid
CID 106744769
2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid
CID 106745070
2-methyl-1-(4-methylsulfanylbutyl)piperidine-4-carboxylic acid
CID 106745352
2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid
CID 106745125
1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid
CID 106744774
1-heptyl-2-methylpyrrolidine-3-carboxylic acid
CID 79371042
1-octylpiperidine-4-carboxylic acid
CID 14745626
1-dodecylpiperidine-4-carboxylic acid
CID 62064821
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 106745002
1-butyl-2-methylpiperidin-4-ol
CID 119028950
cyclohexane-1,4-dicarboxylic acid;octane
CID 174889638
1-dodecyl-2-methylpiperidine;methanesulfonic acid
CID 175583651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-octylpiperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-octylpiperidine-4-carboxylic acid (CID 106744771) is 2-methyl-1-octylpiperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-octylpiperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-octylpiperidine-4-carboxylic acid is CCCCCCCCN1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-octylpiperidine-4-carboxylic acid?
The InChIKey is FSGDWGWIQAMVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-4-5-6-7-8-10-16-11-9-14(15(17)18)12-13(16)2/h13-14H,3-12H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-octylpiperidine-4-carboxylic acid?
2-methyl-1-octylpiperidine-4-carboxylic acid has a molecular weight of 255.40 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-octylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).