3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid

C13H25NO2 — CID 65069025

IUPAC3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid
SMILESCCCC(C)N1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-4-7-11(3)14-9-6-8-13(5-2,10-14)12(15)16/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyKKCIOJZMTBPUNU-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.75
Rot. Bonds5

About 3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid

3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid (PubChem CID 65069025) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid
PubChem CID65069025
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid
SMILESCCCC(C)N1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-4-7-11(3)14-9-6-8-13(5-2,10-14)12(15)16/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyKKCIOJZMTBPUNU-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-octan-2-yl-3-propylpiperidine-3-carboxylic acid
CID 65069079
1-(1-cyclopentylethyl)-3-ethylpiperidine-3-carboxylic acid
CID 65068729
3,3-dimethyl-1-pentan-2-ylpiperidine
CID 59678340
3-ethyl-1-(6,6,6-trifluorohexan-2-yl)pyrrolidine-3-carboxylic acid
CID 116536210
1-(1-cyclopropylpropyl)-3-ethylpiperidine-3-carboxylic acid
CID 65068968
3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid
CID 63137169
1-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 65068446
3-ethyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63136014
1-[1-(5-chlorothiophen-3-yl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 114083038
1-[1-(2,4-dichlorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 65068924
1-[1-(2,5-difluorophenyl)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 65068630
3-ethyl-1-nonylpiperidine-3-carboxylic acid
CID 63137490

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid (CID 65069025) is 3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid is CCCC(C)N1CCCC(CC)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid?
The InChIKey is KKCIOJZMTBPUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-7-11(3)14-9-6-8-13(5-2,10-14)12(15)16/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid?
3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid has a molecular weight of 227.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 65069025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).