4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde

C20H23FN2O — CID 19784373

IUPAC4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde
SMILESCN(Cc1ccc(F)cc1)C1CCN(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C20H23FN2O/c1-22(14-16-2-6-18(21)7-3-16)19-10-12-23(13-11-19)20-8-4-17(15-24)5-9-20/h2-9,15,19H,10-14H2,1H3
InChIKeyQCSFTRWXGUJRGC-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.74
Rot. Bonds5

About 4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde

4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde (PubChem CID 19784373) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde
PubChem CID19784373
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde
SMILESCN(Cc1ccc(F)cc1)C1CCN(c2ccc(C=O)cc2)CC1
InChIInChI=1S/C20H23FN2O/c1-22(14-16-2-6-18(21)7-3-16)19-10-12-23(13-11-19)20-8-4-17(15-24)5-9-20/h2-9,15,19H,10-14H2,1H3
InChIKeyQCSFTRWXGUJRGC-UHFFFAOYSA-N
XLogP3.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.74
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-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde (CID 19784373) is 4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde is CN(Cc1ccc(F)cc1)C1CCN(c2ccc(C=O)cc2)CC1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde?
The InChIKey is QCSFTRWXGUJRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-22(14-16-2-6-18(21)7-3-16)19-10-12-23(13-11-19)20-8-4-17(15-24)5-9-20/h2-9,15,19H,10-14H2,1H3.
What are the key properties of 4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde?
4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde has a molecular weight of 326.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methyl-methylamino]piperidin-1-yl]benzaldehyde is sourced from PubChem (CID 19784373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).