1-(4-propyldecyl)piperidine-3-carboxylic acid

C19H37NO2 — CID 57041701

IUPAC1-(4-propyldecyl)piperidine-3-carboxylic acid
SMILESCCCCCCC(CCC)CCCN1CCCC(C(=O)O)C1
InChIInChI=1S/C19H37NO2/c1-3-5-6-7-11-17(10-4-2)12-8-14-20-15-9-13-18(16-20)19(21)22/h17-18H,3-16H2,1-2H3,(H,21,22)
InChIKeyZQLTZEWIWCFXSY-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.95
Rot. Bonds12

About 1-(4-propyldecyl)piperidine-3-carboxylic acid

1-(4-propyldecyl)piperidine-3-carboxylic acid (PubChem CID 57041701) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 1-(4-propyldecyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-propyldecyl)piperidine-3-carboxylic acid
PubChem CID57041701
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name1-(4-propyldecyl)piperidine-3-carboxylic acid
SMILESCCCCCCC(CCC)CCCN1CCCC(C(=O)O)C1
InChIInChI=1S/C19H37NO2/c1-3-5-6-7-11-17(10-4-2)12-8-14-20-15-9-13-18(16-20)19(21)22/h17-18H,3-16H2,1-2H3,(H,21,22)
InChIKeyZQLTZEWIWCFXSY-UHFFFAOYSA-N
XLogP4.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.95
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-(4-propyldecyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-propyldecyl)piperidine-3-carboxylic acid (CID 57041701) is 1-(4-propyldecyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-propyldecyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-propyldecyl)piperidine-3-carboxylic acid is CCCCCCC(CCC)CCCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(4-propyldecyl)piperidine-3-carboxylic acid?
The InChIKey is ZQLTZEWIWCFXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-3-5-6-7-11-17(10-4-2)12-8-14-20-15-9-13-18(16-20)19(21)22/h17-18H,3-16H2,1-2H3,(H,21,22).
What are the key properties of 1-(4-propyldecyl)piperidine-3-carboxylic acid?
1-(4-propyldecyl)piperidine-3-carboxylic acid has a molecular weight of 311.51 g/mol, XLogP of 4.95, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propyldecyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 57041701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).