[1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine

C15H27F3N2 — CID 64755313

IUPAC[1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1CCN(C2(CN)CCC(C(F)(F)F)CC2)C(C)C1
InChIInChI=1S/C15H27F3N2/c1-11-5-8-20(12(2)9-11)14(10-19)6-3-13(4-7-14)15(16,17)18/h11-13H,3-10,19H2,1-2H3
InChIKeyWLIWCBHDMQZNCV-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.56
Rot. Bonds2

About [1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine

[1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 64755313) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is [1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID64755313
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name[1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
SMILESCC1CCN(C2(CN)CCC(C(F)(F)F)CC2)C(C)C1
InChIInChI=1S/C15H27F3N2/c1-11-5-8-20(12(2)9-11)14(10-19)6-3-13(4-7-14)15(16,17)18/h11-13H,3-10,19H2,1-2H3
InChIKeyWLIWCBHDMQZNCV-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine (CID 64755313) is [1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine is CC1CCN(C2(CN)CCC(C(F)(F)F)CC2)C(C)C1.
What is the InChIKey of [1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is WLIWCBHDMQZNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-11-5-8-20(12(2)9-11)14(10-19)6-3-13(4-7-14)15(16,17)18/h11-13H,3-10,19H2,1-2H3.
What are the key properties of [1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine?
[1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 292.39 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 64755313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).