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

C10H19F3N2O — CID 61490676

IUPAC1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
SMILESNC1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-16-7-1-4-15-5-2-9(14)3-6-15/h9H,1-8,14H2
InChIKeyPBTGYXNDRXXQJR-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds5

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

1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine (PubChem CID 61490676) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
PubChem CID61490676
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
SMILESNC1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)8-16-7-1-4-15-5-2-9(14)3-6-15/h9H,1-8,14H2
InChIKeyPBTGYXNDRXXQJR-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
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-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine (CID 61490676) is 1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine is NC1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The InChIKey is PBTGYXNDRXXQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)8-16-7-1-4-15-5-2-9(14)3-6-15/h9H,1-8,14H2.
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine is sourced from PubChem (CID 61490676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).