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

C17H18F3NO2 — CID 3784702

IUPAC1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccoc2)CC1
InChIInChI=1S/C17H18F3NO2/c18-17(19,20)15-3-1-2-14(10-15)16(22)5-7-21(8-6-16)11-13-4-9-23-12-13/h1-4,9-10,12,22H,5-8,11H2
InChIKeyLFHZRXYPSSDBCK-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.78
Rot. Bonds3

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

1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 3784702) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID3784702
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESOC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccoc2)CC1
InChIInChI=1S/C17H18F3NO2/c18-17(19,20)15-3-1-2-14(10-15)16(22)5-7-21(8-6-16)11-13-4-9-23-12-13/h1-4,9-10,12,22H,5-8,11H2
InChIKeyLFHZRXYPSSDBCK-UHFFFAOYSA-N
XLogP3.78
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 3784702) is 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is OC1(c2cccc(C(F)(F)F)c2)CCN(Cc2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is LFHZRXYPSSDBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2/c18-17(19,20)15-3-1-2-14(10-15)16(22)5-7-21(8-6-16)11-13-4-9-23-12-13/h1-4,9-10,12,22H,5-8,11H2.
What are the key properties of 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 325.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 3784702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).