4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde

C19H23N3O — CID 87286041

IUPAC4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde
SMILESCC(C)N1CCN(c2ccc(-c3ccc(C=O)cc3)cn2)CC1
InChIInChI=1S/C19H23N3O/c1-15(2)21-9-11-22(12-10-21)19-8-7-18(13-20-19)17-5-3-16(14-23)4-6-17/h3-8,13-15H,9-12H2,1-2H3
InChIKeyRUNFZVXZVYGJHU-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.09
Rot. Bonds4

About 4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde

4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde (PubChem CID 87286041) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde
PubChem CID87286041
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde
SMILESCC(C)N1CCN(c2ccc(-c3ccc(C=O)cc3)cn2)CC1
InChIInChI=1S/C19H23N3O/c1-15(2)21-9-11-22(12-10-21)19-8-7-18(13-20-19)17-5-3-16(14-23)4-6-17/h3-8,13-15H,9-12H2,1-2H3
InChIKeyRUNFZVXZVYGJHU-UHFFFAOYSA-N
XLogP3.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
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 4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde?
The IUPAC name of 4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde (CID 87286041) is 4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde.
What is the SMILES notation for 4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde?
The canonical SMILES for 4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde is CC(C)N1CCN(c2ccc(-c3ccc(C=O)cc3)cn2)CC1.
What is the InChIKey of 4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde?
The InChIKey is RUNFZVXZVYGJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15(2)21-9-11-22(12-10-21)19-8-7-18(13-20-19)17-5-3-16(14-23)4-6-17/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of 4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde?
4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde has a molecular weight of 309.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde is sourced from PubChem (CID 87286041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).