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

C19H22N2O — CID 135595416

IUPAC2-[(1-benzylpiperidin-4-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O/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/h1-9,14,18,22H,10-13,15H2/b20-14+
InChIKeyFMRVKMBYBQMTPS-XSFVSMFZSA-N
MW294.40 g/mol
LogP3.48
Rot. Bonds4

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

2-[(1-benzylpiperidin-4-yl)iminomethyl]phenol (PubChem CID 135595416) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)iminomethyl]phenol
PubChem CID135595416
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-[(1-benzylpiperidin-4-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O/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/h1-9,14,18,22H,10-13,15H2/b20-14+
InChIKeyFMRVKMBYBQMTPS-XSFVSMFZSA-N
XLogP3.48
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Disalicylidene-1,2-propanediamine
CID 7210
N,N'-Bis(salicylidene)-1,3-propanediamine
CID 67125
Phenol, 2,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis-
CID 260228
Phenol, 2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis-
CID 115824
N,N'-Bis(salicylidene)-1,4-butanediamine
CID 482317
Norletimol
CID 71643
N,N'-bis(2-hydroxybenzylidene)pentane-1,5-diamine
CID 2318645
Nsc137035
CID 282925
2-hydroxy-N-(1-phenylcyclohexyl)piperidine
CID 134225
2-[[3-[(2-Hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
CID 745587
2-{[3-(2-Hydroxyethyl)-4-(2-phenylethyl)piperazin-1-yl]methyl}phenol
CID 16189509
2-({[4-(4-Ethyl-1-piperazinyl)phenyl]imino}methyl)phenol
CID 830472

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)iminomethyl]phenol?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)iminomethyl]phenol (CID 135595416) is 2-[(1-benzylpiperidin-4-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)iminomethyl]phenol is Oc1ccccc1/C=N/C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)iminomethyl]phenol?
The InChIKey is FMRVKMBYBQMTPS-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N2O/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/h1-9,14,18,22H,10-13,15H2/b20-14+.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)iminomethyl]phenol?
2-[(1-benzylpiperidin-4-yl)iminomethyl]phenol has a molecular weight of 294.40 g/mol, XLogP of 3.48, 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]phenol is sourced from PubChem (CID 135595416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).