1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine

C14H26F3N3O — CID 80553350

IUPAC1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(CCCOCC(F)(F)F)C2)CC1
InChIInChI=1S/C14H26F3N3O/c15-14(16,17)11-21-9-1-5-19-6-4-13(10-19)20-7-2-12(18)3-8-20/h12-13H,1-11,18H2
InChIKeyWBYFQXLNUYSXIG-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.45
Rot. Bonds6

About 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine

1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553350) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553350
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(CCCOCC(F)(F)F)C2)CC1
InChIInChI=1S/C14H26F3N3O/c15-14(16,17)11-21-9-1-5-19-6-4-13(10-19)20-7-2-12(18)3-8-20/h12-13H,1-11,18H2
InChIKeyWBYFQXLNUYSXIG-UHFFFAOYSA-N
XLogP1.45
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine (CID 80553350) is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine is NC1CCN(C2CCN(CCCOCC(F)(F)F)C2)CC1.
What is the InChIKey of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is WBYFQXLNUYSXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c15-14(16,17)11-21-9-1-5-19-6-4-13(10-19)20-7-2-12(18)3-8-20/h12-13H,1-11,18H2.
What are the key properties of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine?
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 309.38 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).