1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one

C15H25F3N2O — CID 64760014

IUPAC1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one
SMILESCC(NC1CCCC(C(F)(F)F)C1)C(=O)N1CCCCC1
InChIInChI=1S/C15H25F3N2O/c1-11(14(21)20-8-3-2-4-9-20)19-13-7-5-6-12(10-13)15(16,17)18/h11-13,19H,2-10H2,1H3
InChIKeyQHTXAIRQYMWABB-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.10
Rot. Bonds3

About 1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one

1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one (PubChem CID 64760014) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one
PubChem CID64760014
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one
SMILESCC(NC1CCCC(C(F)(F)F)C1)C(=O)N1CCCCC1
InChIInChI=1S/C15H25F3N2O/c1-11(14(21)20-8-3-2-4-9-20)19-13-7-5-6-12(10-13)15(16,17)18/h11-13,19H,2-10H2,1H3
InChIKeyQHTXAIRQYMWABB-UHFFFAOYSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one (CID 64760014) is 1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one is CC(NC1CCCC(C(F)(F)F)C1)C(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one?
The InChIKey is QHTXAIRQYMWABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-11(14(21)20-8-3-2-4-9-20)19-13-7-5-6-12(10-13)15(16,17)18/h11-13,19H,2-10H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one?
1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one has a molecular weight of 306.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propan-1-one is sourced from PubChem (CID 64760014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).