3-ethyl-1-nonylpiperidine-3-carboxylic acid

C17H33NO2 — CID 63137490

IUPAC3-ethyl-1-nonylpiperidine-3-carboxylic acid
SMILESCCCCCCCCCN1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C17H33NO2/c1-3-5-6-7-8-9-10-13-18-14-11-12-17(4-2,15-18)16(19)20/h3-15H2,1-2H3,(H,19,20)
InChIKeySIDJTKCPDMMYNS-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.31
Rot. Bonds10

About 3-ethyl-1-nonylpiperidine-3-carboxylic acid

3-ethyl-1-nonylpiperidine-3-carboxylic acid (PubChem CID 63137490) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-ethyl-1-nonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-nonylpiperidine-3-carboxylic acid
PubChem CID63137490
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name3-ethyl-1-nonylpiperidine-3-carboxylic acid
SMILESCCCCCCCCCN1CCCC(CC)(C(=O)O)C1
InChIInChI=1S/C17H33NO2/c1-3-5-6-7-8-9-10-13-18-14-11-12-17(4-2,15-18)16(19)20/h3-15H2,1-2H3,(H,19,20)
InChIKeySIDJTKCPDMMYNS-UHFFFAOYSA-N
XLogP4.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.31
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

3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
3-ethyl-1-(3-phenoxypropyl)piperidine-3-carboxylic acid
CID 63137224
1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
CID 83158038
1-(3-ethylsulfonylpropyl)-3-propylpiperidine-3-carboxylic acid
CID 65097732
3-ethyl-1-(2-hydroxypropyl)piperidine-3-carboxylic acid
CID 63137169
3-ethyl-1-(4-methylsulfanylbutyl)pyrrolidine-3-carboxylic acid
CID 103090449
1-[2-(dimethylamino)-2-oxoethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136962
3-amino-1-butylpiperidine-3-carboxylic acid
CID 117011811
3-ethyl-1-(2-hydroxy-2-methylbutyl)piperidine-3-carboxylic acid
CID 114494933
1-(2-ethoxyethyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63148735
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137572
1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one
CID 176977035

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-nonylpiperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-nonylpiperidine-3-carboxylic acid (CID 63137490) is 3-ethyl-1-nonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-nonylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-nonylpiperidine-3-carboxylic acid is CCCCCCCCCN1CCCC(CC)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-nonylpiperidine-3-carboxylic acid?
The InChIKey is SIDJTKCPDMMYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-5-6-7-8-9-10-13-18-14-11-12-17(4-2,15-18)16(19)20/h3-15H2,1-2H3,(H,19,20).
What are the key properties of 3-ethyl-1-nonylpiperidine-3-carboxylic acid?
3-ethyl-1-nonylpiperidine-3-carboxylic acid has a molecular weight of 283.46 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-nonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63137490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).