N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine

C8H15F3N2O — CID 83014285

IUPACN-[2-(trifluoromethoxy)ethyl]piperidin-1-amine
SMILESFC(F)(F)OCCNN1CCCCC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)14-7-4-12-13-5-2-1-3-6-13/h12H,1-7H2
InChIKeyKYGKQYAHHKXJJE-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.51
Rot. Bonds4

About N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine

N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine (PubChem CID 83014285) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)ethyl]piperidin-1-amine
PubChem CID83014285
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC NameN-[2-(trifluoromethoxy)ethyl]piperidin-1-amine
SMILESFC(F)(F)OCCNN1CCCCC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)14-7-4-12-13-5-2-1-3-6-13/h12H,1-7H2
InChIKeyKYGKQYAHHKXJJE-UHFFFAOYSA-N
XLogP1.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.51
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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Related Compounds

2,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine
CID 83013777
N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-1-amine
CID 83014482
N-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-1-amine
CID 83014690
1,1,1-Trifluoro-3-(piperidin-1-ylamino)propan-2-ol
CID 83014818
2,6-dimethyl-N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine
CID 83021013
N-(3,3,3-trifluoropropyl)morpholin-4-amine
CID 83022032
N-(4,4,4-trifluorobutyl)morpholin-4-amine
CID 83022131
N-(2-ethoxyethyl)piperidin-1-amine
CID 83013963
N-(2-methoxyethyl)piperidin-1-amine
CID 83015112
N-(2-propoxyethyl)piperidin-1-amine
CID 106452403

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine?
The IUPAC name of N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine (CID 83014285) is N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine.
What is the SMILES notation for N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine?
The canonical SMILES for N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine is FC(F)(F)OCCNN1CCCCC1.
What is the InChIKey of N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine?
The InChIKey is KYGKQYAHHKXJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)14-7-4-12-13-5-2-1-3-6-13/h12H,1-7H2.
What are the key properties of N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine?
N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine has a molecular weight of 212.21 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)ethyl]piperidin-1-amine is sourced from PubChem (CID 83014285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).