oxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

C20H26F3NO2 — CID 45194955

IUPACoxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H26F3NO2/c21-20(22,23)18-6-2-1-5-16(18)8-7-15-4-3-11-24(14-15)19(25)17-9-12-26-13-10-17/h1-2,5-6,15,17H,3-4,7-14H2
InChIKeyVUSDQVVQRJVUNJ-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.30
Rot. Bonds4

About oxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone

oxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (PubChem CID 45194955) has the molecular formula C20H26F3NO2 and a molecular weight of 369.43 g/mol. Its IUPAC name is oxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
PubChem CID45194955
Molecular FormulaC20H26F3NO2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Nameoxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCCC(CCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C20H26F3NO2/c21-20(22,23)18-6-2-1-5-16(18)8-7-15-4-3-11-24(14-15)19(25)17-9-12-26-13-10-17/h1-2,5-6,15,17H,3-4,7-14H2
InChIKeyVUSDQVVQRJVUNJ-UHFFFAOYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone (CID 45194955) is oxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is O=C(C1CCOCC1)N1CCCC(CCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of oxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
The InChIKey is VUSDQVVQRJVUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3NO2/c21-20(22,23)18-6-2-1-5-16(18)8-7-15-4-3-11-24(14-15)19(25)17-9-12-26-13-10-17/h1-2,5-6,15,17H,3-4,7-14H2.
What are the key properties of oxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone?
oxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 45194955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).