(3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

C21H22F3NO2 — CID 56866355

IUPAC(3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(O)c1)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H22F3NO2/c22-21(23,24)18-7-1-4-15(12-18)9-10-16-5-3-11-25(14-16)20(27)17-6-2-8-19(26)13-17/h1-2,4,6-8,12-13,16,26H,3,5,9-11,14H2
InChIKeyVPCLLDAYNBVMRP-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.90
Rot. Bonds4

About (3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

(3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (PubChem CID 56866355) has the molecular formula C21H22F3NO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
PubChem CID56866355
Molecular FormulaC21H22F3NO2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name(3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESO=C(c1cccc(O)c1)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H22F3NO2/c22-21(23,24)18-7-1-4-15(12-18)9-10-16-5-3-11-25(14-16)20(27)17-6-2-8-19(26)13-17/h1-2,4,6-8,12-13,16,26H,3,5,9-11,14H2
InChIKeyVPCLLDAYNBVMRP-UHFFFAOYSA-N
XLogP4.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (CID 56866355) is (3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is O=C(c1cccc(O)c1)N1CCCC(CCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is VPCLLDAYNBVMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO2/c22-21(23,24)18-7-1-4-15(12-18)9-10-16-5-3-11-25(14-16)20(27)17-6-2-8-19(26)13-17/h1-2,4,6-8,12-13,16,26H,3,5,9-11,14H2.
What are the key properties of (3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
(3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 377.41 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56866355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).