4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol

C28H29ClF3NO — CID 53324045

IUPAC4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2
InChIKeySGUZNMAAJVIZHU-UHFFFAOYSA-N
MW487.99 g/mol
LogP7.25
Rot. Bonds7

About 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol

4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol (PubChem CID 53324045) has the molecular formula C28H29ClF3NO and a molecular weight of 487.99 g/mol. Its IUPAC name is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol.

Molecular Properties

Compound Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol
PubChem CID53324045
Molecular FormulaC28H29ClF3NO
Molecular Weight487.99 g/mol
Exact Mass487.19
IUPAC Name4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2
InChIKeySGUZNMAAJVIZHU-UHFFFAOYSA-N
XLogP7.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.99
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol?
The IUPAC name of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol (CID 53324045) is 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol.
What is the SMILES notation for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol?
The canonical SMILES for 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol is OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol?
The InChIKey is SGUZNMAAJVIZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClF3NO/c29-26-14-13-23(20-25(26)28(30,31)32)27(34)15-18-33(19-16-27)17-7-12-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,13-14,20,24,34H,7,12,15-19H2.
What are the key properties of 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol?
4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol has a molecular weight of 487.99 g/mol, XLogP of 7.25, 7 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-(4,4-diphenylbutyl)piperidin-4-ol is sourced from PubChem (CID 53324045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).