1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride

C17H22ClN3 — CID 45260089

IUPAC1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCN(C)CC1
InChIInChI=1S/C17H21N3.ClH/c1-19-8-10-20(11-9-19)17(18)13-14-6-7-15-4-2-3-5-16(15)12-14;/h2-7,12,18H,8-11,13H2,1H3;1H/b18-17-;
InChIKeyMSJIHGPSZISKJV-YBFBCAGJSA-N
MW303.84 g/mol
LogP3.03
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride

1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride (PubChem CID 45260089) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride
PubChem CID45260089
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCN(C)CC1
InChIInChI=1S/C17H21N3.ClH/c1-19-8-10-20(11-9-19)17(18)13-14-6-7-15-4-2-3-5-16(15)12-14;/h2-7,12,18H,8-11,13H2,1H3;1H/b18-17-;
InChIKeyMSJIHGPSZISKJV-YBFBCAGJSA-N
XLogP3.03
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride (CID 45260089) is 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride is Cl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride?
The InChIKey is MSJIHGPSZISKJV-YBFBCAGJSA-N. The full InChI is InChI=1S/C17H21N3.ClH/c1-19-8-10-20(11-9-19)17(18)13-14-6-7-15-4-2-3-5-16(15)12-14;/h2-7,12,18H,8-11,13H2,1H3;1H/b18-17-;.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride?
1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride has a molecular weight of 303.84 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride is sourced from PubChem (CID 45260089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).