2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine

C12H23F3N2O — CID 83013565

IUPAC2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine
SMILESCC1CCCC(C)N1NCCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-10-5-3-6-11(2)17(10)16-7-4-8-18-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyMPXFCQIVLXKPEF-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.72
Rot. Bonds6

About 2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine

2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine (PubChem CID 83013565) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine
PubChem CID83013565
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine
SMILESCC1CCCC(C)N1NCCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-10-5-3-6-11(2)17(10)16-7-4-8-18-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3
InChIKeyMPXFCQIVLXKPEF-UHFFFAOYSA-N
XLogP2.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine?
The IUPAC name of 2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine (CID 83013565) is 2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine?
The canonical SMILES for 2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine is CC1CCCC(C)N1NCCCOCC(F)(F)F.
What is the InChIKey of 2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine?
The InChIKey is MPXFCQIVLXKPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10-5-3-6-11(2)17(10)16-7-4-8-18-9-12(13,14)15/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine?
2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine has a molecular weight of 268.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine is sourced from PubChem (CID 83013565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).