piperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone

C25H29F3N2O2 — CID 24817793

IUPACpiperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(OC2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1)N1CCCCC1
InChIInChI=1S/C25H29F3N2O2/c26-25(27,28)23-7-3-2-6-20(23)18-29-16-12-22(13-17-29)32-21-10-8-19(9-11-21)24(31)30-14-4-1-5-15-30/h2-3,6-11,22H,1,4-5,12-18H2
InChIKeyHYOJVCBTNSJRHH-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.37
Rot. Bonds5

About piperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone

piperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone (PubChem CID 24817793) has the molecular formula C25H29F3N2O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is piperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone
PubChem CID24817793
Molecular FormulaC25H29F3N2O2
Molecular Weight446.51 g/mol
Exact Mass446.22
IUPAC Namepiperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(OC2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1)N1CCCCC1
InChIInChI=1S/C25H29F3N2O2/c26-25(27,28)23-7-3-2-6-20(23)18-29-16-12-22(13-17-29)32-21-10-8-19(9-11-21)24(31)30-14-4-1-5-15-30/h2-3,6-11,22H,1,4-5,12-18H2
InChIKeyHYOJVCBTNSJRHH-UHFFFAOYSA-N
XLogP5.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone (CID 24817793) is piperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone is O=C(c1ccc(OC2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone?
The InChIKey is HYOJVCBTNSJRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O2/c26-25(27,28)23-7-3-2-6-20(23)18-29-16-12-22(13-17-29)32-21-10-8-19(9-11-21)24(31)30-14-4-1-5-15-30/h2-3,6-11,22H,1,4-5,12-18H2.
What are the key properties of piperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone?
piperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone has a molecular weight of 446.51 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxyphenyl]methanone is sourced from PubChem (CID 24817793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).