ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine

C14H21F3N2O — CID 142618828

IUPACethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine
SMILESCC.NC1CCCN(c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C12H15F3N2O.C2H6/c13-12(14,15)18-11-5-3-10(4-6-11)17-7-1-2-9(16)8-17;1-2/h3-6,9H,1-2,7-8,16H2;1-2H3
InChIKeyGNPVTXHOIZRMEK-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.54
Rot. Bonds2

About ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine

ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine (PubChem CID 142618828) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine.

Molecular Properties

Compound Nameethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine
PubChem CID142618828
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Nameethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine
SMILESCC.NC1CCCN(c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C12H15F3N2O.C2H6/c13-12(14,15)18-11-5-3-10(4-6-11)17-7-1-2-9(16)8-17;1-2/h3-6,9H,1-2,7-8,16H2;1-2H3
InChIKeyGNPVTXHOIZRMEK-UHFFFAOYSA-N
XLogP3.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine?
The IUPAC name of ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine (CID 142618828) is ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine.
What is the SMILES notation for ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine?
The canonical SMILES for ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine is CC.NC1CCCN(c2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine?
The InChIKey is GNPVTXHOIZRMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O.C2H6/c13-12(14,15)18-11-5-3-10(4-6-11)17-7-1-2-9(16)8-17;1-2/h3-6,9H,1-2,7-8,16H2;1-2H3.
What are the key properties of ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine?
ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine has a molecular weight of 290.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine is sourced from PubChem (CID 142618828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).