2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde

C19H18F3NO — CID 156786560

IUPAC2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)(F)F)cc1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H18F3NO/c20-19(21,22)17-7-6-16(13-24)18(12-17)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12-13,15H,8-11H2
InChIKeyKLEMQQBNKUZKPH-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.90
Rot. Bonds3

About 2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde

2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde (PubChem CID 156786560) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde
PubChem CID156786560
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)(F)F)cc1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H18F3NO/c20-19(21,22)17-7-6-16(13-24)18(12-17)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12-13,15H,8-11H2
InChIKeyKLEMQQBNKUZKPH-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde (CID 156786560) is 2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde is O=Cc1ccc(C(F)(F)F)cc1N1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde?
The InChIKey is KLEMQQBNKUZKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c20-19(21,22)17-7-6-16(13-24)18(12-17)23-10-8-15(9-11-23)14-4-2-1-3-5-14/h1-7,12-13,15H,8-11H2.
What are the key properties of 2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde?
2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde has a molecular weight of 333.35 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 156786560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).