2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C15H25F3N2O2 — CID 71999951

IUPAC2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC1CCCO)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H25F3N2O2/c16-15(17,18)12-4-1-8-20(10-12)14(22)11-19-7-2-5-13(19)6-3-9-21/h12-13,21H,1-11H2
InChIKeyPAUIMHAOTLDLHI-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.02
Rot. Bonds5

About 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 71999951) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID71999951
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC1CCCO)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H25F3N2O2/c16-15(17,18)12-4-1-8-20(10-12)14(22)11-19-7-2-5-13(19)6-3-9-21/h12-13,21H,1-11H2
InChIKeyPAUIMHAOTLDLHI-UHFFFAOYSA-N
XLogP2.02
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 71999951) is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is O=C(CN1CCCC1CCCO)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is PAUIMHAOTLDLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c16-15(17,18)12-4-1-8-20(10-12)14(22)11-19-7-2-5-13(19)6-3-9-21/h12-13,21H,1-11H2.
What are the key properties of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 322.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71999951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).