1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine

C15H27F3N2 — CID 43747487

IUPAC1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
SMILESCC1CN(C)C(C)CC1NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2/c1-10-9-20(3)11(2)7-14(10)19-13-6-4-5-12(8-13)15(16,17)18/h10-14,19H,4-9H2,1-3H3
InChIKeyZMQBFFUCHIXEPG-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.43
Rot. Bonds2

About 1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine

1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine (PubChem CID 43747487) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine.

Molecular Properties

Compound Name1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
PubChem CID43747487
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
SMILESCC1CN(C)C(C)CC1NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H27F3N2/c1-10-9-20(3)11(2)7-14(10)19-13-6-4-5-12(8-13)15(16,17)18/h10-14,19H,4-9H2,1-3H3
InChIKeyZMQBFFUCHIXEPG-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The IUPAC name of 1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine (CID 43747487) is 1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine.
What is the SMILES notation for 1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The canonical SMILES for 1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine is CC1CN(C)C(C)CC1NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
The InChIKey is ZMQBFFUCHIXEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-10-9-20(3)11(2)7-14(10)19-13-6-4-5-12(8-13)15(16,17)18/h10-14,19H,4-9H2,1-3H3.
What are the key properties of 1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine?
1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine has a molecular weight of 292.39 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine is sourced from PubChem (CID 43747487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).