4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol

C18H20F2N2O — CID 11381559

IUPAC4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol
SMILESNc1cc(F)c(C2(O)CCN(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C18H20F2N2O/c19-15-10-14(21)11-16(20)17(15)18(23)6-8-22(9-7-18)12-13-4-2-1-3-5-13/h1-5,10-11,23H,6-9,12,21H2
InChIKeyXIWDDSAHVHZTGF-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.03
Rot. Bonds3

About 4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol

4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol (PubChem CID 11381559) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol.

Molecular Properties

Compound Name4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol
PubChem CID11381559
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol
SMILESNc1cc(F)c(C2(O)CCN(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C18H20F2N2O/c19-15-10-14(21)11-16(20)17(15)18(23)6-8-22(9-7-18)12-13-4-2-1-3-5-13/h1-5,10-11,23H,6-9,12,21H2
InChIKeyXIWDDSAHVHZTGF-UHFFFAOYSA-N
XLogP3.03
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol?
The IUPAC name of 4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol (CID 11381559) is 4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol.
What is the SMILES notation for 4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol?
The canonical SMILES for 4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol is Nc1cc(F)c(C2(O)CCN(Cc3ccccc3)CC2)c(F)c1.
What is the InChIKey of 4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol?
The InChIKey is XIWDDSAHVHZTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c19-15-10-14(21)11-16(20)17(15)18(23)6-8-22(9-7-18)12-13-4-2-1-3-5-13/h1-5,10-11,23H,6-9,12,21H2.
What are the key properties of 4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol?
4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol has a molecular weight of 318.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,6-difluorophenyl)-1-benzylpiperidin-4-ol is sourced from PubChem (CID 11381559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).