pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone

C12H19F4N3O — CID 119887988

IUPACpyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
SMILESO=C(C1CCNC1)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C12H19F4N3O/c13-11(14)12(15,16)8-18-3-5-19(6-4-18)10(20)9-1-2-17-7-9/h9,11,17H,1-8H2
InChIKeyFFTZRVFSSKNDKM-UHFFFAOYSA-N
MW297.30 g/mol
LogP0.64
Rot. Bonds4

About pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone

pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone (PubChem CID 119887988) has the molecular formula C12H19F4N3O and a molecular weight of 297.30 g/mol. Its IUPAC name is pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
PubChem CID119887988
Molecular FormulaC12H19F4N3O
Molecular Weight297.30 g/mol
Exact Mass297.15
IUPAC Namepyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
SMILESO=C(C1CCNC1)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C12H19F4N3O/c13-11(14)12(15,16)8-18-3-5-19(6-4-18)10(20)9-1-2-17-7-9/h9,11,17H,1-8H2
InChIKeyFFTZRVFSSKNDKM-UHFFFAOYSA-N
XLogP0.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

pyrrolidin-3-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63005475
piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259794
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 63006582
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 120941906
1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876051
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837309
3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one
CID 63005991
[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 177134798
[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119843367

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone?
The IUPAC name of pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone (CID 119887988) is pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone.
What is the SMILES notation for pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone?
The canonical SMILES for pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone is O=C(C1CCNC1)N1CCN(CC(F)(F)C(F)F)CC1.
What is the InChIKey of pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone?
The InChIKey is FFTZRVFSSKNDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4N3O/c13-11(14)12(15,16)8-18-3-5-19(6-4-18)10(20)9-1-2-17-7-9/h9,11,17H,1-8H2.
What are the key properties of pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone?
pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone has a molecular weight of 297.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119887988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).