N-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

C15H27F3N2 — CID 64850435

IUPACN-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC1CCC(N(CC(F)(F)F)C2CCNCC2)CC1C
InChIInChI=1S/C15H27F3N2/c1-11-3-4-14(9-12(11)2)20(10-15(16,17)18)13-5-7-19-8-6-13/h11-14,19H,3-10H2,1-2H3
InChIKeyNBUQATFXAVCPSI-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.43
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 64850435) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID64850435
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC1CCC(N(CC(F)(F)F)C2CCNCC2)CC1C
InChIInChI=1S/C15H27F3N2/c1-11-3-4-14(9-12(11)2)20(10-15(16,17)18)13-5-7-19-8-6-13/h11-14,19H,3-10H2,1-2H3
InChIKeyNBUQATFXAVCPSI-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 N-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 64850435) is N-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is CC1CCC(N(CC(F)(F)F)C2CCNCC2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is NBUQATFXAVCPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-11-3-4-14(9-12(11)2)20(10-15(16,17)18)13-5-7-19-8-6-13/h11-14,19H,3-10H2,1-2H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 292.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 64850435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).