1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine

C9H17F3N2O — CID 61490747

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
SMILESNC1CCCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)7-15-5-4-14-3-1-2-8(13)6-14/h8H,1-7,13H2
InChIKeyOQHWGDPIVMKXNP-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.99
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine

1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine (PubChem CID 61490747) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
PubChem CID61490747
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
SMILESNC1CCCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)7-15-5-4-14-3-1-2-8(13)6-14/h8H,1-7,13H2
InChIKeyOQHWGDPIVMKXNP-UHFFFAOYSA-N
XLogP0.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.99
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-3-amine?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine (CID 61490747) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine is NC1CCCN(CCOCC(F)(F)F)C1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
The InChIKey is OQHWGDPIVMKXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)7-15-5-4-14-3-1-2-8(13)6-14/h8H,1-7,13H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine has a molecular weight of 226.24 g/mol, XLogP of 0.99, 4 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-3-amine is sourced from PubChem (CID 61490747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).