1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine

C15H21F3N2O — CID 115517958

IUPAC1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine
SMILESNC1CCN(c2ccccc2OCCCC(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)8-3-11-21-14-5-2-1-4-13(14)20-9-6-12(19)7-10-20/h1-2,4-5,12H,3,6-11,19H2
InChIKeyQHXCUIKRJRARMA-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.34
Rot. Bonds5

About 1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine

1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine (PubChem CID 115517958) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine
PubChem CID115517958
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine
SMILESNC1CCN(c2ccccc2OCCCC(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O/c16-15(17,18)8-3-11-21-14-5-2-1-4-13(14)20-9-6-12(19)7-10-20/h1-2,4-5,12H,3,6-11,19H2
InChIKeyQHXCUIKRJRARMA-UHFFFAOYSA-N
XLogP3.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.34
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-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine (CID 115517958) is 1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine is NC1CCN(c2ccccc2OCCCC(F)(F)F)CC1.
What is the InChIKey of 1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine?
The InChIKey is QHXCUIKRJRARMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c16-15(17,18)8-3-11-21-14-5-2-1-4-13(14)20-9-6-12(19)7-10-20/h1-2,4-5,12H,3,6-11,19H2.
What are the key properties of 1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine?
1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4,4-trifluorobutoxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 115517958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).