(E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride

C23H25Cl2N3 — CID 44726035

IUPAC(E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride
SMILESC/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1Cl.Cl
InChIInChI=1S/C23H24ClN3.ClH/c1-18(21-10-4-5-12-23(21)24)25-27-15-13-26(14-16-27)17-20-9-6-8-19-7-2-3-11-22(19)20;/h2-12H,13-17H2,1H3;1H/b25-18+;
InChIKeyMFDXYIJOLHSPAK-LHSXHHQOSA-N
MW414.38 g/mol
LogP5.46
Rot. Bonds4

About (E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride

(E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride (PubChem CID 44726035) has the molecular formula C23H25Cl2N3 and a molecular weight of 414.38 g/mol. Its IUPAC name is (E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride.

Molecular Properties

Compound Name(E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride
PubChem CID44726035
Molecular FormulaC23H25Cl2N3
Molecular Weight414.38 g/mol
Exact Mass413.14
IUPAC Name(E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride
SMILESC/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1Cl.Cl
InChIInChI=1S/C23H24ClN3.ClH/c1-18(21-10-4-5-12-23(21)24)25-27-15-13-26(14-16-27)17-20-9-6-8-19-7-2-3-11-22(19)20;/h2-12H,13-17H2,1H3;1H/b25-18+;
InChIKeyMFDXYIJOLHSPAK-LHSXHHQOSA-N
XLogP5.46
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride?
The IUPAC name of (E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride (CID 44726035) is (E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride.
What is the SMILES notation for (E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride?
The canonical SMILES for (E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride is C/C(=N\N1CCN(Cc2cccc3ccccc23)CC1)c1ccccc1Cl.Cl.
What is the InChIKey of (E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride?
The InChIKey is MFDXYIJOLHSPAK-LHSXHHQOSA-N. The full InChI is InChI=1S/C23H24ClN3.ClH/c1-18(21-10-4-5-12-23(21)24)25-27-15-13-26(14-16-27)17-20-9-6-8-19-7-2-3-11-22(19)20;/h2-12H,13-17H2,1H3;1H/b25-18+;.
What are the key properties of (E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride?
(E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride has a molecular weight of 414.38 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanimine;hydrochloride is sourced from PubChem (CID 44726035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).