[6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine

C12H23F3N2O — CID 55221242

IUPAC[6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
SMILESCC1CCCC(CN)N1CCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-10-4-2-5-11(8-16)17(10)6-3-7-18-9-12(13,14)15/h10-11H,2-9,16H2,1H3
InChIKeyYVXYLWVBKSYFGA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds6

About [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine

[6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine (PubChem CID 55221242) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
PubChem CID55221242
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name[6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
SMILESCC1CCCC(CN)N1CCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-10-4-2-5-11(8-16)17(10)6-3-7-18-9-12(13,14)15/h10-11H,2-9,16H2,1H3
InChIKeyYVXYLWVBKSYFGA-UHFFFAOYSA-N
XLogP2.16
TPSA38.49 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 ≤ 52.16
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 [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
The IUPAC name of [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine (CID 55221242) is [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
The canonical SMILES for [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine is CC1CCCC(CN)N1CCCOCC(F)(F)F.
What is the InChIKey of [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
The InChIKey is YVXYLWVBKSYFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10-4-2-5-11(8-16)17(10)6-3-7-18-9-12(13,14)15/h10-11H,2-9,16H2,1H3.
What are the key properties of [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine?
[6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine has a molecular weight of 268.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 55221242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).