1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

C23H29F3N4O — CID 91811571

IUPAC1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cccnc1N1CCN(C2CCN(CCOc3ccccc3)CC2)CC1
InChIInChI=1S/C23H29F3N4O/c24-23(25,26)21-7-4-10-27-22(21)30-15-13-29(14-16-30)19-8-11-28(12-9-19)17-18-31-20-5-2-1-3-6-20/h1-7,10,19H,8-9,11-18H2
InChIKeyUOLZHKIQLXTAIJ-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.77
Rot. Bonds6

About 1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine

1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 91811571) has the molecular formula C23H29F3N4O and a molecular weight of 434.51 g/mol. Its IUPAC name is 1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID91811571
Molecular FormulaC23H29F3N4O
Molecular Weight434.51 g/mol
Exact Mass434.23
IUPAC Name1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1cccnc1N1CCN(C2CCN(CCOc3ccccc3)CC2)CC1
InChIInChI=1S/C23H29F3N4O/c24-23(25,26)21-7-4-10-27-22(21)30-15-13-29(14-16-30)19-8-11-28(12-9-19)17-18-31-20-5-2-1-3-6-20/h1-7,10,19H,8-9,11-18H2
InChIKeyUOLZHKIQLXTAIJ-UHFFFAOYSA-N
XLogP3.77
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine (CID 91811571) is 1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1cccnc1N1CCN(C2CCN(CCOc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is UOLZHKIQLXTAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O/c24-23(25,26)21-7-4-10-27-22(21)30-15-13-29(14-16-30)19-8-11-28(12-9-19)17-18-31-20-5-2-1-3-6-20/h1-7,10,19H,8-9,11-18H2.
What are the key properties of 1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 434.51 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenoxyethyl)piperidin-4-yl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 91811571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).