1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol

C21H24F3NO2 — CID 151955496

IUPAC1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol
SMILESCC(CN1CCC(c2cccc(C(F)(F)F)c2)C(O)C1)Oc1ccccc1
InChIInChI=1S/C21H24F3NO2/c1-15(27-18-8-3-2-4-9-18)13-25-11-10-19(20(26)14-25)16-6-5-7-17(12-16)21(22,23)24/h2-9,12,15,19-20,26H,10-11,13-14H2,1H3
InChIKeyTXNSJSNFVUGXJI-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.32
Rot. Bonds5

About 1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol

1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol (PubChem CID 151955496) has the molecular formula C21H24F3NO2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol.

Molecular Properties

Compound Name1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol
PubChem CID151955496
Molecular FormulaC21H24F3NO2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol
SMILESCC(CN1CCC(c2cccc(C(F)(F)F)c2)C(O)C1)Oc1ccccc1
InChIInChI=1S/C21H24F3NO2/c1-15(27-18-8-3-2-4-9-18)13-25-11-10-19(20(26)14-25)16-6-5-7-17(12-16)21(22,23)24/h2-9,12,15,19-20,26H,10-11,13-14H2,1H3
InChIKeyTXNSJSNFVUGXJI-UHFFFAOYSA-N
XLogP4.32
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol?
The IUPAC name of 1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol (CID 151955496) is 1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol.
What is the SMILES notation for 1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol?
The canonical SMILES for 1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol is CC(CN1CCC(c2cccc(C(F)(F)F)c2)C(O)C1)Oc1ccccc1.
What is the InChIKey of 1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol?
The InChIKey is TXNSJSNFVUGXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO2/c1-15(27-18-8-3-2-4-9-18)13-25-11-10-19(20(26)14-25)16-6-5-7-17(12-16)21(22,23)24/h2-9,12,15,19-20,26H,10-11,13-14H2,1H3.
What are the key properties of 1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol?
1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol has a molecular weight of 379.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxypropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol is sourced from PubChem (CID 151955496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).