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

C14H27F3N2O — CID 63853595

IUPACN-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(CCCOCC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-3-18-12(2)13-6-4-7-19(10-13)8-5-9-20-11-14(15,16)17/h12-13,18H,3-11H2,1-2H3
InChIKeyCESJMCGKZXCXRD-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.67
Rot. Bonds8

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

N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine (PubChem CID 63853595) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine
PubChem CID63853595
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC NameN-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine
SMILESCCNC(C)C1CCCN(CCCOCC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-3-18-12(2)13-6-4-7-19(10-13)8-5-9-20-11-14(15,16)17/h12-13,18H,3-11H2,1-2H3
InChIKeyCESJMCGKZXCXRD-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.67
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-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine (CID 63853595) is N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine is CCNC(C)C1CCCN(CCCOCC(F)(F)F)C1.
What is the InChIKey of N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine?
The InChIKey is CESJMCGKZXCXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-3-18-12(2)13-6-4-7-19(10-13)8-5-9-20-11-14(15,16)17/h12-13,18H,3-11H2,1-2H3.
What are the key properties of N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine?
N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine has a molecular weight of 296.38 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 63853595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).