1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine

C12H23F3N2O — CID 63847344

IUPAC1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(CCCOCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-10(16)11-4-2-5-17(8-11)6-3-7-18-9-12(13,14)15/h10-11H,2-9,16H2,1H3
InChIKeySPZMXMDGXAGRBX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.01
Rot. Bonds6

About 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine

1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine (PubChem CID 63847344) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine
PubChem CID63847344
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(CCCOCC(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-10(16)11-4-2-5-17(8-11)6-3-7-18-9-12(13,14)15/h10-11H,2-9,16H2,1H3
InChIKeySPZMXMDGXAGRBX-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 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine (CID 63847344) is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine is CC(N)C1CCCN(CCCOCC(F)(F)F)C1.
What is the InChIKey of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine?
The InChIKey is SPZMXMDGXAGRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10(16)11-4-2-5-17(8-11)6-3-7-18-9-12(13,14)15/h10-11H,2-9,16H2,1H3.
What are the key properties of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine?
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine 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 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 63847344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).