N-(1-benzylpiperidin-4-yl)-1-phenylmethanimine

C19H22N2 — CID 155548223

IUPACN-(1-benzylpiperidin-4-yl)-1-phenylmethanimine
SMILESC(=N/C1CCN(Cc2ccccc2)CC1)\c1ccccc1
InChIInChI=1S/C19H22N2/c1-3-7-17(8-4-1)15-20-19-11-13-21(14-12-19)16-18-9-5-2-6-10-18/h1-10,15,19H,11-14,16H2/b20-15+
InChIKeyVVQPLYAHXAZPHF-HMMYKYKNSA-N
MW278.40 g/mol
LogP3.77
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-1-phenylmethanimine

N-(1-benzylpiperidin-4-yl)-1-phenylmethanimine (PubChem CID 155548223) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-phenylmethanimine
PubChem CID155548223
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-phenylmethanimine
SMILESC(=N/C1CCN(Cc2ccccc2)CC1)\c1ccccc1
InChIInChI=1S/C19H22N2/c1-3-7-17(8-4-1)15-20-19-11-13-21(14-12-19)16-18-9-5-2-6-10-18/h1-10,15,19H,11-14,16H2/b20-15+
InChIKeyVVQPLYAHXAZPHF-HMMYKYKNSA-N
XLogP3.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.77
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-phenylmethanimine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-phenylmethanimine (CID 155548223) is N-(1-benzylpiperidin-4-yl)-1-phenylmethanimine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-phenylmethanimine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-phenylmethanimine is C(=N/C1CCN(Cc2ccccc2)CC1)\c1ccccc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-phenylmethanimine?
The InChIKey is VVQPLYAHXAZPHF-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H22N2/c1-3-7-17(8-4-1)15-20-19-11-13-21(14-12-19)16-18-9-5-2-6-10-18/h1-10,15,19H,11-14,16H2/b20-15+.
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-phenylmethanimine?
N-(1-benzylpiperidin-4-yl)-1-phenylmethanimine has a molecular weight of 278.40 g/mol, XLogP of 3.77, 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-phenylmethanimine is sourced from PubChem (CID 155548223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).