2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde

C15H22N2O3 — CID 162092515

IUPAC2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde
SMILESCC(C(=O)O)C1CCCN(C)C1.O=Cc1cccnc1
InChIInChI=1S/C9H17NO2.C6H5NO/c1-7(9(11)12)8-4-3-5-10(2)6-8;8-5-6-2-1-3-7-4-6/h7-8H,3-6H2,1-2H3,(H,11,12);1-5H
InChIKeyZDUPROCIUHUJMJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.94
Rot. Bonds3

About 2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde

2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde (PubChem CID 162092515) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde
PubChem CID162092515
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde
SMILESCC(C(=O)O)C1CCCN(C)C1.O=Cc1cccnc1
InChIInChI=1S/C9H17NO2.C6H5NO/c1-7(9(11)12)8-4-3-5-10(2)6-8;8-5-6-2-1-3-7-4-6/h7-8H,3-6H2,1-2H3,(H,11,12);1-5H
InChIKeyZDUPROCIUHUJMJ-UHFFFAOYSA-N
XLogP1.94
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde?
The IUPAC name of 2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde (CID 162092515) is 2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde is CC(C(=O)O)C1CCCN(C)C1.O=Cc1cccnc1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde?
The InChIKey is ZDUPROCIUHUJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C6H5NO/c1-7(9(11)12)8-4-3-5-10(2)6-8;8-5-6-2-1-3-7-4-6/h7-8H,3-6H2,1-2H3,(H,11,12);1-5H.
What are the key properties of 2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde?
2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde has a molecular weight of 278.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)propanoic acid;pyridine-3-carbaldehyde is sourced from PubChem (CID 162092515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).