2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol

C19H24N2O — CID 4792504

IUPAC2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol
SMILESOc1ccccc1CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24N2O/c22-19-9-5-4-8-17(19)14-20-18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h1-9,18,20,22H,10-15H2
InChIKeyPEZATUMKVOFZTR-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.15
Rot. Bonds5

About 2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol

2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol (PubChem CID 4792504) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol
PubChem CID4792504
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol
SMILESOc1ccccc1CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24N2O/c22-19-9-5-4-8-17(19)14-20-18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h1-9,18,20,22H,10-15H2
InChIKeyPEZATUMKVOFZTR-UHFFFAOYSA-N
XLogP3.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol (CID 4792504) is 2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol is Oc1ccccc1CNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol?
The InChIKey is PEZATUMKVOFZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c22-19-9-5-4-8-17(19)14-20-18-10-12-21(13-11-18)15-16-6-2-1-3-7-16/h1-9,18,20,22H,10-15H2.
What are the key properties of 2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol?
2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol has a molecular weight of 296.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-benzylpiperidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 4792504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).