2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol

C13H17F3N2O — CID 115050835

IUPAC2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1NCC1CCNCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)10-1-2-11(12(19)7-10)18-8-9-3-5-17-6-4-9/h1-2,7,9,17-19H,3-6,8H2
InChIKeyPGZDZWBSNWXTDE-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.82
Rot. Bonds3

About 2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol

2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol (PubChem CID 115050835) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol
PubChem CID115050835
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1NCC1CCNCC1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)10-1-2-11(12(19)7-10)18-8-9-3-5-17-6-4-9/h1-2,7,9,17-19H,3-6,8H2
InChIKeyPGZDZWBSNWXTDE-UHFFFAOYSA-N
XLogP2.82
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol (CID 115050835) is 2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)ccc1NCC1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol?
The InChIKey is PGZDZWBSNWXTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)10-1-2-11(12(19)7-10)18-8-9-3-5-17-6-4-9/h1-2,7,9,17-19H,3-6,8H2.
What are the key properties of 2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol?
2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol has a molecular weight of 274.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethylamino)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 115050835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).