N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine

C19H21ClN2 — CID 155544490

IUPACN-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine
SMILESClc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15H2/b21-14+
InChIKeyZCUFEVHIUABIOG-KGENOOAVSA-N
MW312.84 g/mol
LogP4.42
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine

N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine (PubChem CID 155544490) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine
PubChem CID155544490
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine
SMILESClc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H21ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15H2/b21-14+
InChIKeyZCUFEVHIUABIOG-KGENOOAVSA-N
XLogP4.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.42
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-(4-chlorophenyl)methanimine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine (CID 155544490) is N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine is Clc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine?
The InChIKey is ZCUFEVHIUABIOG-KGENOOAVSA-N. The full InChI is InChI=1S/C19H21ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15H2/b21-14+.
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine?
N-(1-benzylpiperidin-4-yl)-1-(4-chlorophenyl)methanimine has a molecular weight of 312.84 g/mol, XLogP of 4.42, 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-(4-chlorophenyl)methanimine is sourced from PubChem (CID 155544490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).