(4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride

C14H25Cl2F4N3O2 — CID 119887971

IUPAC(4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCOC1(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C14H23F4N3O2.2ClH/c1-23-13(2-4-19-5-3-13)12(22)21-8-6-20(7-9-21)10-14(17,18)11(15)16;;/h11,19H,2-10H2,1H3;2*1H
InChIKeyHRZXCBCIYOMLCA-UHFFFAOYSA-N
MW414.27 g/mol
LogP1.64
Rot. Bonds5

About (4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride

(4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119887971) has the molecular formula C14H25Cl2F4N3O2 and a molecular weight of 414.27 g/mol. Its IUPAC name is (4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119887971
Molecular FormulaC14H25Cl2F4N3O2
Molecular Weight414.27 g/mol
Exact Mass413.13
IUPAC Name(4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCOC1(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C14H23F4N3O2.2ClH/c1-23-13(2-4-19-5-3-13)12(22)21-8-6-20(7-9-21)10-14(17,18)11(15)16;;/h11,19H,2-10H2,1H3;2*1H
InChIKeyHRZXCBCIYOMLCA-UHFFFAOYSA-N
XLogP1.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
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 (4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride (CID 119887971) is (4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride is COC1(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)CCNCC1.Cl.Cl.
What is the InChIKey of (4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is HRZXCBCIYOMLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F4N3O2.2ClH/c1-23-13(2-4-19-5-3-13)12(22)21-8-6-20(7-9-21)10-14(17,18)11(15)16;;/h11,19H,2-10H2,1H3;2*1H.
What are the key properties of (4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride?
(4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 414.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-4-yl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119887971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).