4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde

C22H21FN2O — CID 143782236

IUPAC4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde
SMILESCc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C22H21FN2O/c1-15-20(14-26)22(16-5-7-17(23)8-6-16)19-13-18(9-10-21(19)24-15)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyGNUYRENFVQQGFB-UHFFFAOYSA-N
MW348.42 g/mol
LogP5.15
Rot. Bonds3

About 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde

4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde (PubChem CID 143782236) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde
PubChem CID143782236
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde
SMILESCc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C22H21FN2O/c1-15-20(14-26)22(16-5-7-17(23)8-6-16)19-13-18(9-10-21(19)24-15)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3
InChIKeyGNUYRENFVQQGFB-UHFFFAOYSA-N
XLogP5.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.42
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde (CID 143782236) is 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde is Cc1nc2ccc(N3CCCCC3)cc2c(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde?
The InChIKey is GNUYRENFVQQGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O/c1-15-20(14-26)22(16-5-7-17(23)8-6-16)19-13-18(9-10-21(19)24-15)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde?
4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde has a molecular weight of 348.42 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-6-piperidin-1-ylquinoline-3-carbaldehyde is sourced from PubChem (CID 143782236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).