2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde

C19H20F2N2O2 — CID 87309154

IUPAC2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde
SMILESO=CC(OCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H20F2N2O2/c20-16-6-7-18(17(21)12-16)22-8-10-23(11-9-22)19(13-24)25-14-15-4-2-1-3-5-15/h1-7,12-13,19H,8-11,14H2
InChIKeyTUTGQFCAXGAEFG-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.83
Rot. Bonds6

About 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde

2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde (PubChem CID 87309154) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde
PubChem CID87309154
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde
SMILESO=CC(OCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C19H20F2N2O2/c20-16-6-7-18(17(21)12-16)22-8-10-23(11-9-22)19(13-24)25-14-15-4-2-1-3-5-15/h1-7,12-13,19H,8-11,14H2
InChIKeyTUTGQFCAXGAEFG-UHFFFAOYSA-N
XLogP2.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde?
The IUPAC name of 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde (CID 87309154) is 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde.
What is the SMILES notation for 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde?
The canonical SMILES for 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde is O=CC(OCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde?
The InChIKey is TUTGQFCAXGAEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-16-6-7-18(17(21)12-16)22-8-10-23(11-9-22)19(13-24)25-14-15-4-2-1-3-5-15/h1-7,12-13,19H,8-11,14H2.
What are the key properties of 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde?
2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde has a molecular weight of 346.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-phenylmethoxyacetaldehyde is sourced from PubChem (CID 87309154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).