1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid

C13H25NO2 — CID 114426624

IUPAC1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid
SMILESCCC(CC)CN1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-11(5-2)9-14-7-6-10(3)8-12(14)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyCQWLMEYREICUTL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds5

About 1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid

1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426624) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114426624
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid
SMILESCCC(CC)CN1CCC(C)CC1C(=O)O
InChIInChI=1S/C13H25NO2/c1-4-11(5-2)9-14-7-6-10(3)8-12(14)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyCQWLMEYREICUTL-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid (CID 114426624) is 1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid is CCC(CC)CN1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is CQWLMEYREICUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-11(5-2)9-14-7-6-10(3)8-12(14)13(15)16/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid?
1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).