1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol

C19H20F3NO — CID 51353703

IUPAC1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol
SMILESOC1CN(Cc2ccccc2)CCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO/c20-19(21,22)16-8-6-15(7-9-16)17-10-11-23(13-18(17)24)12-14-4-2-1-3-5-14/h1-9,17-18,24H,10-13H2
InChIKeyCLCBYHACAIVKTR-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.06
Rot. Bonds3

About 1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol

1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol (PubChem CID 51353703) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol
PubChem CID51353703
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol
SMILESOC1CN(Cc2ccccc2)CCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H20F3NO/c20-19(21,22)16-8-6-15(7-9-16)17-10-11-23(13-18(17)24)12-14-4-2-1-3-5-14/h1-9,17-18,24H,10-13H2
InChIKeyCLCBYHACAIVKTR-UHFFFAOYSA-N
XLogP4.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol?
The IUPAC name of 1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol (CID 51353703) is 1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol.
What is the SMILES notation for 1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol?
The canonical SMILES for 1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol is OC1CN(Cc2ccccc2)CCC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol?
The InChIKey is CLCBYHACAIVKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c20-19(21,22)16-8-6-15(7-9-16)17-10-11-23(13-18(17)24)12-14-4-2-1-3-5-14/h1-9,17-18,24H,10-13H2.
What are the key properties of 1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol?
1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol has a molecular weight of 335.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(trifluoromethyl)phenyl]piperidin-3-ol is sourced from PubChem (CID 51353703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).