1-(3-propylnonyl)piperidine-3-carboxylic acid

C18H35NO2 — CID 15670916

IUPAC1-(3-propylnonyl)piperidine-3-carboxylic acid
SMILESCCCCCCC(CCC)CCN1CCCC(C(=O)O)C1
InChIInChI=1S/C18H35NO2/c1-3-5-6-7-10-16(9-4-2)12-14-19-13-8-11-17(15-19)18(20)21/h16-17H,3-15H2,1-2H3,(H,20,21)
InChIKeyMNPLUZZXRUIWGO-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.56
Rot. Bonds11

About 1-(3-propylnonyl)piperidine-3-carboxylic acid

1-(3-propylnonyl)piperidine-3-carboxylic acid (PubChem CID 15670916) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-(3-propylnonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-propylnonyl)piperidine-3-carboxylic acid
PubChem CID15670916
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-(3-propylnonyl)piperidine-3-carboxylic acid
SMILESCCCCCCC(CCC)CCN1CCCC(C(=O)O)C1
InChIInChI=1S/C18H35NO2/c1-3-5-6-7-10-16(9-4-2)12-14-19-13-8-11-17(15-19)18(20)21/h16-17H,3-15H2,1-2H3,(H,20,21)
InChIKeyMNPLUZZXRUIWGO-UHFFFAOYSA-N
XLogP4.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.56
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-propylnonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-propylnonyl)piperidine-3-carboxylic acid (CID 15670916) is 1-(3-propylnonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-propylnonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-propylnonyl)piperidine-3-carboxylic acid is CCCCCCC(CCC)CCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(3-propylnonyl)piperidine-3-carboxylic acid?
The InChIKey is MNPLUZZXRUIWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-3-5-6-7-10-16(9-4-2)12-14-19-13-8-11-17(15-19)18(20)21/h16-17H,3-15H2,1-2H3,(H,20,21).
What are the key properties of 1-(3-propylnonyl)piperidine-3-carboxylic acid?
1-(3-propylnonyl)piperidine-3-carboxylic acid has a molecular weight of 297.48 g/mol, XLogP of 4.56, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylnonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 15670916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).