N-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine

C20H24N2 — CID 155561118

IUPACN-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine
SMILESCc1cccc(/C=N/C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2/c1-17-6-5-9-19(14-17)15-21-20-10-12-22(13-11-20)16-18-7-3-2-4-8-18/h2-9,14-15,20H,10-13,16H2,1H3/b21-15+
InChIKeyBHNQBVWKORTAEW-RCCKNPSSSA-N
MW292.43 g/mol
LogP4.08
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine

N-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine (PubChem CID 155561118) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine
PubChem CID155561118
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine
SMILESCc1cccc(/C=N/C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2/c1-17-6-5-9-19(14-17)15-21-20-10-12-22(13-11-20)16-18-7-3-2-4-8-18/h2-9,14-15,20H,10-13,16H2,1H3/b21-15+
InChIKeyBHNQBVWKORTAEW-RCCKNPSSSA-N
XLogP4.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine (CID 155561118) is N-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine is Cc1cccc(/C=N/C2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine?
The InChIKey is BHNQBVWKORTAEW-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H24N2/c1-17-6-5-9-19(14-17)15-21-20-10-12-22(13-11-20)16-18-7-3-2-4-8-18/h2-9,14-15,20H,10-13,16H2,1H3/b21-15+.
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine?
N-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine has a molecular weight of 292.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-(3-methylphenyl)methanimine is sourced from PubChem (CID 155561118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).