2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride

C23H25ClN2 — CID 45260173

IUPAC2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H24N2.ClH/c24-23(17-18-10-11-20-8-4-5-9-22(20)16-18)25-14-12-21(13-15-25)19-6-2-1-3-7-19;/h1-11,16,21,24H,12-15,17H2;1H/b24-23-;
InChIKeyGJSVVDDTCDBLKJ-DCXSSQDFSA-N
MW364.92 g/mol
LogP5.66
Rot. Bonds3

About 2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride

2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride (PubChem CID 45260173) has the molecular formula C23H25ClN2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride.

Molecular Properties

Compound Name2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride
PubChem CID45260173
Molecular FormulaC23H25ClN2
Molecular Weight364.92 g/mol
Exact Mass364.17
IUPAC Name2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C23H24N2.ClH/c24-23(17-18-10-11-20-8-4-5-9-22(20)16-18)25-14-12-21(13-15-25)19-6-2-1-3-7-19;/h1-11,16,21,24H,12-15,17H2;1H/b24-23-;
InChIKeyGJSVVDDTCDBLKJ-DCXSSQDFSA-N
XLogP5.66
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride?
The IUPAC name of 2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride (CID 45260173) is 2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride.
What is the SMILES notation for 2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride?
The canonical SMILES for 2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride is Cl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride?
The InChIKey is GJSVVDDTCDBLKJ-DCXSSQDFSA-N. The full InChI is InChI=1S/C23H24N2.ClH/c24-23(17-18-10-11-20-8-4-5-9-22(20)16-18)25-14-12-21(13-15-25)19-6-2-1-3-7-19;/h1-11,16,21,24H,12-15,17H2;1H/b24-23-;.
What are the key properties of 2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride?
2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride is sourced from PubChem (CID 45260173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).