4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol

C28H27ClF3NO — CID 54671232

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C28H27ClF3NO/c29-26-12-11-19(18-25(26)28(30,31)32)27(34)13-16-33(17-14-27)15-5-10-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-12,18,24,34H,5,10,13-17H2
InChIKeyREMFIZGJFGNAJQ-UHFFFAOYSA-N
MW485.98 g/mol
LogP7.23
Rot. Bonds5

About 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol

4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol (PubChem CID 54671232) has the molecular formula C28H27ClF3NO and a molecular weight of 485.98 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol
PubChem CID54671232
Molecular FormulaC28H27ClF3NO
Molecular Weight485.98 g/mol
Exact Mass485.17
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C28H27ClF3NO/c29-26-12-11-19(18-25(26)28(30,31)32)27(34)13-16-33(17-14-27)15-5-10-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-12,18,24,34H,5,10,13-17H2
InChIKeyREMFIZGJFGNAJQ-UHFFFAOYSA-N
XLogP7.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.98
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol with MolForge

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Related Compounds

Penfluridol
CID 33630
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-[(2-methylphenyl)methyl]piperidin-4-ol
CID 70685046
4-(4-Chloro-phenyl)-1-(3,3-diphenyl-propyl)-piperidin-4-ol
CID 44395410
1-[4,4-Bis[4-(trifluoromethyl)phenyl]butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 52917989
1-[4,4-Bis[3-(trifluoromethyl)phenyl]butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 52918008
1-[4,4-Bis(3-methylphenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 52918009
1-[4,4-Bis(4-methylphenyl)butyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 53322617
4-[4-Chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol
CID 53324045
1-[5,5-Bis(4-fluorophenyl)pentyl]-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 53325242
4-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)butyl]piperidin-4-ol
CID 57403525
4-(4-Chlorophenyl)-1-(4,4-diphenylbutyl)-1-methylpiperidin-1-ium-4-ol iodide
CID 11801019
4-(4-Chloro-3-trifluoromethyl-phenyl)-1-(3,3-diphenyl-propyl)-piperidin-4-ol
CID 44339374

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol (CID 54671232) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol is OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol?
The InChIKey is REMFIZGJFGNAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClF3NO/c29-26-12-11-19(18-25(26)28(30,31)32)27(34)13-16-33(17-14-27)15-5-10-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-12,18,24,34H,5,10,13-17H2.
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol?
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol has a molecular weight of 485.98 g/mol, XLogP of 7.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(9H-fluoren-9-yl)propyl]piperidin-4-ol is sourced from PubChem (CID 54671232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).