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

C13H18F2N2O — CID 115047768

IUPAC5-(difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol
SMILESOc1cc(C(F)F)ccc1NCC1CCNCC1
InChIInChI=1S/C13H18F2N2O/c14-13(15)10-1-2-11(12(18)7-10)17-8-9-3-5-16-6-4-9/h1-2,7,9,13,16-18H,3-6,8H2
InChIKeySNZSLUQFFUGFKN-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.74
Rot. Bonds4

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

5-(difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol (PubChem CID 115047768) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol
PubChem CID115047768
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-(difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol
SMILESOc1cc(C(F)F)ccc1NCC1CCNCC1
InChIInChI=1S/C13H18F2N2O/c14-13(15)10-1-2-11(12(18)7-10)17-8-9-3-5-16-6-4-9/h1-2,7,9,13,16-18H,3-6,8H2
InChIKeySNZSLUQFFUGFKN-UHFFFAOYSA-N
XLogP2.74
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.74
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-(difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol?
The IUPAC name of 5-(difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol (CID 115047768) is 5-(difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol.
What is the SMILES notation for 5-(difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol?
The canonical SMILES for 5-(difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol is Oc1cc(C(F)F)ccc1NCC1CCNCC1.
What is the InChIKey of 5-(difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol?
The InChIKey is SNZSLUQFFUGFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-13(15)10-1-2-11(12(18)7-10)17-8-9-3-5-16-6-4-9/h1-2,7,9,13,16-18H,3-6,8H2.
What are the key properties of 5-(difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol?
5-(difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol has a molecular weight of 256.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(piperidin-4-ylmethylamino)phenol is sourced from PubChem (CID 115047768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).