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

C12H23F3N2O — CID 54989584

IUPAC[6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1CCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-10-3-4-11(7-16)8-17(10)5-2-6-18-9-12(13,14)15/h10-11H,2-9,16H2,1H3
InChIKeyXVQPWZNRQVSVBI-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.01
Rot. Bonds6

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

[6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine (PubChem CID 54989584) 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-3-yl]methanamine.

Molecular Properties

Compound Name[6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine
PubChem CID54989584
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name[6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1CCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-10-3-4-11(7-16)8-17(10)5-2-6-18-9-12(13,14)15/h10-11H,2-9,16H2,1H3
InChIKeyXVQPWZNRQVSVBI-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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-3-yl]methanamine?
The IUPAC name of [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine (CID 54989584) is [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine?
The canonical SMILES for [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine is CC1CCC(CN)CN1CCCOCC(F)(F)F.
What is the InChIKey of [6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine?
The InChIKey is XVQPWZNRQVSVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10-3-4-11(7-16)8-17(10)5-2-6-18-9-12(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-3-yl]methanamine?
[6-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]methanamine has a molecular weight of 268.32 g/mol, XLogP of 2.01, 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-3-yl]methanamine is sourced from PubChem (CID 54989584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).