(5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone

C15H20F2N2O2 — CID 158085543

IUPAC(5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2=CC3=C(CCC(F)(F)C3O)C2)CC1
InChIInChI=1S/C15H20F2N2O2/c1-18-4-6-19(7-5-18)14(21)11-8-10-2-3-15(16,17)13(20)12(10)9-11/h9,13,20H,2-8H2,1H3
InChIKeyFNLVOBZWDCLIOL-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.18
Rot. Bonds1

About (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone

(5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 158085543) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID158085543
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name(5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2=CC3=C(CCC(F)(F)C3O)C2)CC1
InChIInChI=1S/C15H20F2N2O2/c1-18-4-6-19(7-5-18)14(21)11-8-10-2-3-15(16,17)13(20)12(10)9-11/h9,13,20H,2-8H2,1H3
InChIKeyFNLVOBZWDCLIOL-UHFFFAOYSA-N
XLogP1.18
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(5-fluoro-4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 161730060
(4-Hydroxy-1,4,5,6-tetrahydropentalen-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 148995560
(7-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 157960354
(4-hydroxy-4,5,6,7-tetrahydro-1H-inden-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 161104036

Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 158085543) is (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2=CC3=C(CCC(F)(F)C3O)C2)CC1.
What is the InChIKey of (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FNLVOBZWDCLIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-18-4-6-19(7-5-18)14(21)11-8-10-2-3-15(16,17)13(20)12(10)9-11/h9,13,20H,2-8H2,1H3.
What are the key properties of (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone?
(5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 298.33 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-4-hydroxy-1,4,6,7-tetrahydroinden-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 158085543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).