(3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one

C16H19F3N2O3 — CID 95152890

IUPAC(3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one
SMILESO=C1OCC[C@H]1N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)24-13-3-1-12(2-4-13)11-20-6-8-21(9-7-20)14-5-10-23-15(14)22/h1-4,14H,5-11H2/t14-/m1/s1
InChIKeySKGSCFPBMKJZLA-CQSZACIVSA-N
MW344.33 g/mol
LogP2.02
Rot. Bonds4

About (3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one

(3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one (PubChem CID 95152890) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is (3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one
PubChem CID95152890
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name(3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one
SMILESO=C1OCC[C@H]1N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)24-13-3-1-12(2-4-13)11-20-6-8-21(9-7-20)14-5-10-23-15(14)22/h1-4,14H,5-11H2/t14-/m1/s1
InChIKeySKGSCFPBMKJZLA-CQSZACIVSA-N
XLogP2.02
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 51126733
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetonitrile
CID 51078356
(3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one
CID 95283272
N-cyclopropyl-2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 55741672
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
3-[[4-(trifluoromethoxy)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927636
3-(1,3-dioxolan-2-yl)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 56506045
1-[[4-(trifluoromethoxy)phenyl]methyl]azetidin-3-ol
CID 55169790
3-[[4-(trifluoromethoxy)phenyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 155353464
(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-ol
CID 26458695
3-(bromomethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine
CID 80691866

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one?
The IUPAC name of (3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one (CID 95152890) is (3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one?
The canonical SMILES for (3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one is O=C1OCC[C@H]1N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of (3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one?
The InChIKey is SKGSCFPBMKJZLA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c17-16(18,19)24-13-3-1-12(2-4-13)11-20-6-8-21(9-7-20)14-5-10-23-15(14)22/h1-4,14H,5-11H2/t14-/m1/s1.
What are the key properties of (3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one?
(3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one has a molecular weight of 344.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 95152890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).