[3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone

C15H25F3N2O — CID 114960327

IUPAC[3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1CN
InChIInChI=1S/C15H25F3N2O/c1-10-6-7-20(9-12(10)8-19)14(21)11-2-4-13(5-3-11)15(16,17)18/h10-13H,2-9,19H2,1H3
InChIKeyGLMSOUQXKVKJEY-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.80
Rot. Bonds2

About [3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone

[3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 114960327) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is [3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
PubChem CID114960327
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
SMILESCC1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1CN
InChIInChI=1S/C15H25F3N2O/c1-10-6-7-20(9-12(10)8-19)14(21)11-2-4-13(5-3-11)15(16,17)18/h10-13H,2-9,19H2,1H3
InChIKeyGLMSOUQXKVKJEY-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone (CID 114960327) is [3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone is CC1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1CN.
What is the InChIKey of [3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is GLMSOUQXKVKJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-10-6-7-20(9-12(10)8-19)14(21)11-2-4-13(5-3-11)15(16,17)18/h10-13H,2-9,19H2,1H3.
What are the key properties of [3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone?
[3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 306.37 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 114960327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).