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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Related Compounds

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CID 55093483
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CID 62968290
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CID 62968447
CID 62968447
CID 62968448
CID 62968448
CID 64399777
CID 64399777
CID 64736790
CID 64736790
CID 65531432
CID 65531432
CID 65531624
CID 65531624
CID 65532592
CID 65532592

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).