[4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol

C22H22F3NO — CID 70926920

IUPAC[4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C22H22F3NO/c23-22(24,25)20-13-16(15-27)5-6-18(20)14-26-11-9-21(10-12-26)8-7-17-3-1-2-4-19(17)21/h1-8,13,27H,9-12,14-15H2
InChIKeyRZLWTDODDPXMJK-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.76
Rot. Bonds3

About [4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol

[4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol (PubChem CID 70926920) has the molecular formula C22H22F3NO and a molecular weight of 373.42 g/mol. Its IUPAC name is [4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol
PubChem CID70926920
Molecular FormulaC22H22F3NO
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name[4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C22H22F3NO/c23-22(24,25)20-13-16(15-27)5-6-18(20)14-26-11-9-21(10-12-26)8-7-17-3-1-2-4-19(17)21/h1-8,13,27H,9-12,14-15H2
InChIKeyRZLWTDODDPXMJK-UHFFFAOYSA-N
XLogP4.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol (CID 70926920) is [4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol is OCc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)c(C(F)(F)F)c1.
What is the InChIKey of [4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is RZLWTDODDPXMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO/c23-22(24,25)20-13-16(15-27)5-6-18(20)14-26-11-9-21(10-12-26)8-7-17-3-1-2-4-19(17)21/h1-8,13,27H,9-12,14-15H2.
What are the key properties of [4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol?
[4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 373.42 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 70926920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).