N-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine

C12H23F3N2O — CID 54961966

IUPACN-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
SMILESCCNC1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-2-16-11-4-7-17(8-5-11)6-3-9-18-10-12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyUUQJSVJQXTTXBU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds7

About N-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine

N-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine (PubChem CID 54961966) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
PubChem CID54961966
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
SMILESCCNC1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N2O/c1-2-16-11-4-7-17(8-5-11)6-3-9-18-10-12(13,14)15/h11,16H,2-10H2,1H3
InChIKeyUUQJSVJQXTTXBU-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
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 N-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The IUPAC name of N-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine (CID 54961966) is N-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The canonical SMILES for N-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine is CCNC1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of N-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The InChIKey is UUQJSVJQXTTXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-2-16-11-4-7-17(8-5-11)6-3-9-18-10-12(13,14)15/h11,16H,2-10H2,1H3.
What are the key properties of N-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
N-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine is sourced from PubChem (CID 54961966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).