1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine

C22H22F3NO — CID 66837167

IUPAC1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine
SMILESFC(F)(F)c1ccc(C2=C(CN3CCCCC3)COc3ccccc32)cc1
InChIInChI=1S/C22H22F3NO/c23-22(24,25)18-10-8-16(9-11-18)21-17(14-26-12-4-1-5-13-26)15-27-20-7-3-2-6-19(20)21/h2-3,6-11H,1,4-5,12-15H2
InChIKeySQXSMXHQHZSQDY-UHFFFAOYSA-N
MW373.42 g/mol
LogP5.39
Rot. Bonds3

About 1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine

1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine (PubChem CID 66837167) has the molecular formula C22H22F3NO and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine
PubChem CID66837167
Molecular FormulaC22H22F3NO
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine
SMILESFC(F)(F)c1ccc(C2=C(CN3CCCCC3)COc3ccccc32)cc1
InChIInChI=1S/C22H22F3NO/c23-22(24,25)18-10-8-16(9-11-18)21-17(14-26-12-4-1-5-13-26)15-27-20-7-3-2-6-19(20)21/h2-3,6-11H,1,4-5,12-15H2
InChIKeySQXSMXHQHZSQDY-UHFFFAOYSA-N
XLogP5.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine?
The IUPAC name of 1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine (CID 66837167) is 1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine?
The canonical SMILES for 1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine is FC(F)(F)c1ccc(C2=C(CN3CCCCC3)COc3ccccc32)cc1.
What is the InChIKey of 1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine?
The InChIKey is SQXSMXHQHZSQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO/c23-22(24,25)18-10-8-16(9-11-18)21-17(14-26-12-4-1-5-13-26)15-27-20-7-3-2-6-19(20)21/h2-3,6-11H,1,4-5,12-15H2.
What are the key properties of 1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine?
1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine has a molecular weight of 373.42 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(trifluoromethyl)phenyl]-2H-chromen-3-yl]methyl]piperidine is sourced from PubChem (CID 66837167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).