5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol

C14H20F2N2O — CID 115050406

IUPAC5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol
SMILESCC(F)(F)c1ccc(NCC2CCNCC2)c(O)c1
InChIInChI=1S/C14H20F2N2O/c1-14(15,16)11-2-3-12(13(19)8-11)18-9-10-4-6-17-7-5-10/h2-3,8,10,17-19H,4-7,9H2,1H3
InChIKeyHMVBGMKJLXOYLG-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.92
Rot. Bonds4

About 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol

5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol (PubChem CID 115050406) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol
PubChem CID115050406
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol
SMILESCC(F)(F)c1ccc(NCC2CCNCC2)c(O)c1
InChIInChI=1S/C14H20F2N2O/c1-14(15,16)11-2-3-12(13(19)8-11)18-9-10-4-6-17-7-5-10/h2-3,8,10,17-19H,4-7,9H2,1H3
InChIKeyHMVBGMKJLXOYLG-UHFFFAOYSA-N
XLogP2.92
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.92
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-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol?
The IUPAC name of 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol (CID 115050406) is 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol is CC(F)(F)c1ccc(NCC2CCNCC2)c(O)c1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol?
The InChIKey is HMVBGMKJLXOYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-14(15,16)11-2-3-12(13(19)8-11)18-9-10-4-6-17-7-5-10/h2-3,8,10,17-19H,4-7,9H2,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol?
5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol has a molecular weight of 270.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethylamino)phenol is sourced from PubChem (CID 115050406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).