1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone

C14H19F4N3O2 — CID 72935564

IUPAC1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESCn1ccnc1C1CCN(C(=O)COCC(F)(F)C(F)F)CC1
InChIInChI=1S/C14H19F4N3O2/c1-20-7-4-19-12(20)10-2-5-21(6-3-10)11(22)8-23-9-14(17,18)13(15)16/h4,7,10,13H,2-3,5-6,8-9H2,1H3
InChIKeyOQAFMKYCERSXPO-UHFFFAOYSA-N
MW337.32 g/mol
LogP2.04
Rot. Bonds6

About 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone

1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone (PubChem CID 72935564) has the molecular formula C14H19F4N3O2 and a molecular weight of 337.32 g/mol. Its IUPAC name is 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
PubChem CID72935564
Molecular FormulaC14H19F4N3O2
Molecular Weight337.32 g/mol
Exact Mass337.14
IUPAC Name1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESCn1ccnc1C1CCN(C(=O)COCC(F)(F)C(F)F)CC1
InChIInChI=1S/C14H19F4N3O2/c1-20-7-4-19-12(20)10-2-5-21(6-3-10)11(22)8-23-9-14(17,18)13(15)16/h4,7,10,13H,2-3,5-6,8-9H2,1H3
InChIKeyOQAFMKYCERSXPO-UHFFFAOYSA-N
XLogP2.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The IUPAC name of 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone (CID 72935564) is 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone.
What is the SMILES notation for 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The canonical SMILES for 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone is Cn1ccnc1C1CCN(C(=O)COCC(F)(F)C(F)F)CC1.
What is the InChIKey of 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The InChIKey is OQAFMKYCERSXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4N3O2/c1-20-7-4-19-12(20)10-2-5-21(6-3-10)11(22)8-23-9-14(17,18)13(15)16/h4,7,10,13H,2-3,5-6,8-9H2,1H3.
What are the key properties of 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone has a molecular weight of 337.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(2,2,3,3-tetrafluoropropoxy)ethanone is sourced from PubChem (CID 72935564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).