2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol

C19H21FN2O — CID 135908092

IUPAC2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol
SMILESOc1ccc(F)cc1/C=N/C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21FN2O/c20-17-6-7-19(23)16(12-17)13-21-18-8-10-22(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18,23H,8-11,14H2/b21-13+
InChIKeyPELFZLSDFXNLDP-FYJGNVAPSA-N
MW312.39 g/mol
LogP3.61
Rot. Bonds4

About 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol

2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol (PubChem CID 135908092) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol
PubChem CID135908092
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol
SMILESOc1ccc(F)cc1/C=N/C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21FN2O/c20-17-6-7-19(23)16(12-17)13-21-18-8-10-22(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18,23H,8-11,14H2/b21-13+
InChIKeyPELFZLSDFXNLDP-FYJGNVAPSA-N
XLogP3.61
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol 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 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol (CID 135908092) is 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol is Oc1ccc(F)cc1/C=N/C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol?
The InChIKey is PELFZLSDFXNLDP-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-17-6-7-19(23)16(12-17)13-21-18-8-10-22(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18,23H,8-11,14H2/b21-13+.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol?
2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol has a molecular weight of 312.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-fluorophenol is sourced from PubChem (CID 135908092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).