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

C25H21ClF3NO — CID 53325240

IUPAC4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol
SMILESOC1(c2ccc(C(F)(F)F)c(Cl)c2)CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C25H21ClF3NO/c26-22-15-16(9-10-21(22)25(27,28)29)24(31)11-13-30(14-12-24)23-19-7-3-1-5-17(19)18-6-2-4-8-20(18)23/h1-10,15,23,31H,11-14H2
InChIKeyGJKZIYHJRDDOOV-UHFFFAOYSA-N
MW443.90 g/mol
LogP6.41
Rot. Bonds2

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

4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol (PubChem CID 53325240) has the molecular formula C25H21ClF3NO and a molecular weight of 443.90 g/mol. Its IUPAC name is 4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol
PubChem CID53325240
Molecular FormulaC25H21ClF3NO
Molecular Weight443.90 g/mol
Exact Mass443.13
IUPAC Name4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol
SMILESOC1(c2ccc(C(F)(F)F)c(Cl)c2)CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C25H21ClF3NO/c26-22-15-16(9-10-21(22)25(27,28)29)24(31)11-13-30(14-12-24)23-19-7-3-1-5-17(19)18-6-2-4-8-20(18)23/h1-10,15,23,31H,11-14H2
InChIKeyGJKZIYHJRDDOOV-UHFFFAOYSA-N
XLogP6.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.90
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol?
The IUPAC name of 4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol (CID 53325240) is 4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol.
What is the SMILES notation for 4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol?
The canonical SMILES for 4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol is OC1(c2ccc(C(F)(F)F)c(Cl)c2)CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol?
The InChIKey is GJKZIYHJRDDOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3NO/c26-22-15-16(9-10-21(22)25(27,28)29)24(31)11-13-30(14-12-24)23-19-7-3-1-5-17(19)18-6-2-4-8-20(18)23/h1-10,15,23,31H,11-14H2.
What are the key properties of 4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol?
4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol has a molecular weight of 443.90 g/mol, XLogP of 6.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol is sourced from PubChem (CID 53325240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).