2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone

C18H23F3N2O2 — CID 166174078

IUPAC2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(C(F)(F)F)cc1C1CCNCC1)N1CCCC1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)14-3-4-16(15(11-14)13-5-7-22-8-6-13)25-12-17(24)23-9-1-2-10-23/h3-4,11,13,22H,1-2,5-10,12H2
InChIKeyCSCUSMMPDXRPEA-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.17
Rot. Bonds4

About 2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone

2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 166174078) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID166174078
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(C(F)(F)F)cc1C1CCNCC1)N1CCCC1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)14-3-4-16(15(11-14)13-5-7-22-8-6-13)25-12-17(24)23-9-1-2-10-23/h3-4,11,13,22H,1-2,5-10,12H2
InChIKeyCSCUSMMPDXRPEA-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 166174085
1-(3-methylpiperidin-1-yl)-2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 166174081
2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;hydrochloride
CID 166174067
2-[2-amino-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 82007821
1-(1,4-diazepan-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 119415304
1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine
CID 147908509
4-[2-(methoxymethoxy)-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxylic acid
CID 171115863
ethyl 1-[2-piperidin-4-yl-5-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 155199367
2-(4-chloro-2-cyclohexylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 78889023
1-(4-hydroxypiperidin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 110895179
1-[2-(2,4-ditert-butylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 54794261
2-[2-ethoxy-4-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 43059989

Frequently Asked Questions

What is the IUPAC name of 2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone (CID 166174078) is 2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone is O=C(COc1ccc(C(F)(F)F)cc1C1CCNCC1)N1CCCC1.
What is the InChIKey of 2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is CSCUSMMPDXRPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c19-18(20,21)14-3-4-16(15(11-14)13-5-7-22-8-6-13)25-12-17(24)23-9-1-2-10-23/h3-4,11,13,22H,1-2,5-10,12H2.
What are the key properties of 2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone?
2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 356.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-piperidin-4-yl-4-(trifluoromethyl)phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 166174078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).