[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine

C10H19F3N2O — CID 61490446

IUPAC[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-16-6-5-15-3-1-9(7-14)2-4-15/h9H,1-8,14H2
InChIKeyCBGZCKMQLWHKFW-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.24
Rot. Bonds5

About [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine

[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine (PubChem CID 61490446) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine
PubChem CID61490446
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(CCOCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-16-6-5-15-3-1-9(7-14)2-4-15/h9H,1-8,14H2
InChIKeyCBGZCKMQLWHKFW-UHFFFAOYSA-N
XLogP1.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.24
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-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine (CID 61490446) is [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine is NCC1CCN(CCOCC(F)(F)F)CC1.
What is the InChIKey of [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine?
The InChIKey is CBGZCKMQLWHKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)8-16-6-5-15-3-1-9(7-14)2-4-15/h9H,1-8,14H2.
What are the key properties of [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine?
[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine has a molecular weight of 240.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 61490446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).