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

C13H19FN2O — CID 115042649

IUPAC5-(fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol
SMILESOc1cc(CF)ccc1NCC1CCNCC1
InChIInChI=1S/C13H19FN2O/c14-8-11-1-2-12(13(17)7-11)16-9-10-3-5-15-6-4-10/h1-2,7,10,15-17H,3-6,8-9H2
InChIKeyIIPAIEHPQNTXDZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.27
Rot. Bonds4

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

5-(fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol (PubChem CID 115042649) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol.

Molecular Properties

Compound Name5-(fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol
PubChem CID115042649
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name5-(fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol
SMILESOc1cc(CF)ccc1NCC1CCNCC1
InChIInChI=1S/C13H19FN2O/c14-8-11-1-2-12(13(17)7-11)16-9-10-3-5-15-6-4-10/h1-2,7,10,15-17H,3-6,8-9H2
InChIKeyIIPAIEHPQNTXDZ-UHFFFAOYSA-N
XLogP2.27
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.27
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 5-(fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol?
The IUPAC name of 5-(fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol (CID 115042649) is 5-(fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol.
What is the SMILES notation for 5-(fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol?
The canonical SMILES for 5-(fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol is Oc1cc(CF)ccc1NCC1CCNCC1.
What is the InChIKey of 5-(fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol?
The InChIKey is IIPAIEHPQNTXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-8-11-1-2-12(13(17)7-11)16-9-10-3-5-15-6-4-10/h1-2,7,10,15-17H,3-6,8-9H2.
What are the key properties of 5-(fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol?
5-(fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol has a molecular weight of 238.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-(piperidin-4-ylmethylamino)phenol is sourced from PubChem (CID 115042649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).