1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one

C14H23F3N2O — CID 58236002

IUPAC1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one
SMILESCN1CCN(C2CCC(CC(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H23F3N2O/c1-18-6-8-19(9-7-18)12-4-2-11(3-5-12)10-13(20)14(15,16)17/h11-12H,2-10H2,1H3
InChIKeyOPUHBJQDBYWDKD-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.31
Rot. Bonds3

About 1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one

1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one (PubChem CID 58236002) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one
PubChem CID58236002
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one
SMILESCN1CCN(C2CCC(CC(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H23F3N2O/c1-18-6-8-19(9-7-18)12-4-2-11(3-5-12)10-13(20)14(15,16)17/h11-12H,2-10H2,1H3
InChIKeyOPUHBJQDBYWDKD-UHFFFAOYSA-N
XLogP2.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one (CID 58236002) is 1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one is CN1CCN(C2CCC(CC(=O)C(F)(F)F)CC2)CC1.
What is the InChIKey of 1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one?
The InChIKey is OPUHBJQDBYWDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-18-6-8-19(9-7-18)12-4-2-11(3-5-12)10-13(20)14(15,16)17/h11-12H,2-10H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one?
1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one has a molecular weight of 292.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-(4-methylpiperazin-1-yl)cyclohexyl]propan-2-one is sourced from PubChem (CID 58236002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).