N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine

C21H27F2N3O — CID 54235445

IUPACN-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCN(C)c1ccc(OC(F)F)c(CNC2CCCNC2c2ccccc2)c1
InChIInChI=1S/C21H27F2N3O/c1-26(2)17-10-11-19(27-21(22)23)16(13-17)14-25-18-9-6-12-24-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-21,24-25H,6,9,12,14H2,1-2H3
InChIKeyQMGDBGKUSDQIBN-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.94
Rot. Bonds7

About N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine

N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine (PubChem CID 54235445) has the molecular formula C21H27F2N3O and a molecular weight of 375.46 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine
PubChem CID54235445
Molecular FormulaC21H27F2N3O
Molecular Weight375.46 g/mol
Exact Mass375.21
IUPAC NameN-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine
SMILESCN(C)c1ccc(OC(F)F)c(CNC2CCCNC2c2ccccc2)c1
InChIInChI=1S/C21H27F2N3O/c1-26(2)17-10-11-19(27-21(22)23)16(13-17)14-25-18-9-6-12-24-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-21,24-25H,6,9,12,14H2,1-2H3
InChIKeyQMGDBGKUSDQIBN-UHFFFAOYSA-N
XLogP3.94
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine (CID 54235445) is N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine is CN(C)c1ccc(OC(F)F)c(CNC2CCCNC2c2ccccc2)c1.
What is the InChIKey of N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine?
The InChIKey is QMGDBGKUSDQIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N3O/c1-26(2)17-10-11-19(27-21(22)23)16(13-17)14-25-18-9-6-12-24-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-21,24-25H,6,9,12,14H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine?
N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine has a molecular weight of 375.46 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-5-(dimethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 54235445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).