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

C10H19F3N2O — CID 83014690

IUPACN-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine
SMILESFC(F)(F)COCCCNN1CCCCC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)9-16-8-4-5-14-15-6-2-1-3-7-15/h14H,1-9H2
InChIKeySCZLXOVDKGOPRX-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.95
Rot. Bonds6

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

N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine (PubChem CID 83014690) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine
PubChem CID83014690
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine
SMILESFC(F)(F)COCCCNN1CCCCC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)9-16-8-4-5-14-15-6-2-1-3-7-15/h14H,1-9H2
InChIKeySCZLXOVDKGOPRX-UHFFFAOYSA-N
XLogP1.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.95
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-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine (CID 83014690) is N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine is FC(F)(F)COCCCNN1CCCCC1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine?
The InChIKey is SCZLXOVDKGOPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)9-16-8-4-5-14-15-6-2-1-3-7-15/h14H,1-9H2.
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine?
N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine is sourced from PubChem (CID 83014690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).