2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride

C22H30ClN3 — CID 45264412

IUPAC2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C22H29N3.ClH/c23-22(17-18-8-9-19-6-2-3-7-20(19)16-18)25-14-10-21(11-15-25)24-12-4-1-5-13-24;/h2-3,6-9,16,21,23H,1,4-5,10-15,17H2;1H/b23-22-;
InChIKeyIGRYBYFXYBPLBW-YJACDMIVSA-N
MW371.96 g/mol
LogP4.73
Rot. Bonds3

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

2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride (PubChem CID 45264412) has the molecular formula C22H30ClN3 and a molecular weight of 371.96 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride.

Molecular Properties

Compound Name2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride
PubChem CID45264412
Molecular FormulaC22H30ClN3
Molecular Weight371.96 g/mol
Exact Mass371.21
IUPAC Name2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C22H29N3.ClH/c23-22(17-18-8-9-19-6-2-3-7-20(19)16-18)25-14-10-21(11-15-25)24-12-4-1-5-13-24;/h2-3,6-9,16,21,23H,1,4-5,10-15,17H2;1H/b23-22-;
InChIKeyIGRYBYFXYBPLBW-YJACDMIVSA-N
XLogP4.73
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.96
LogP ≤ 54.73
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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Related Compounds

2-naphthalen-2-yl-N,N'-di(propan-2-yl)ethanimidamide;hydrochloride
CID 45260143
1-(4-Methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride
CID 45260089
2-Naphthalen-2-yl-1-piperidin-1-ylethanimine;hydrochloride
CID 45260106
1-Morpholin-4-yl-2-naphthalen-2-ylethanimine;hydrochloride
CID 45260141
2-Naphthalen-2-yl-1-(4-phenylpiperidin-1-yl)ethanimine;hydrochloride
CID 45260173
2-Naphthalen-2-yl-1-pyrrolidin-1-ylethanimine;hydrochloride
CID 45264410
1-(Azepan-1-yl)-2-naphthalen-2-ylethanimine;hydrochloride
CID 45264430
2-Naphthalen-2-yl-1-pyrrolidin-1-ylethanimine
CID 13501096
1-(4-Methylpiperazin-1-yl)-2-naphthalen-2-ylethanimine
CID 13501097
2-Naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine
CID 13501098
1-Morpholin-4-yl-2-naphthalen-2-ylethanimine
CID 13501099
1-(Azepan-1-yl)-2-naphthalen-2-ylethanimine
CID 13501100

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride?
The IUPAC name of 2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride (CID 45264412) is 2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride.
What is the SMILES notation for 2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride?
The canonical SMILES for 2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride is Cl.[H]/N=C(/Cc1ccc2ccccc2c1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride?
The InChIKey is IGRYBYFXYBPLBW-YJACDMIVSA-N. The full InChI is InChI=1S/C22H29N3.ClH/c23-22(17-18-8-9-19-6-2-3-7-20(19)16-18)25-14-10-21(11-15-25)24-12-4-1-5-13-24;/h2-3,6-9,16,21,23H,1,4-5,10-15,17H2;1H/b23-22-;.
What are the key properties of 2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride?
2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride has a molecular weight of 371.96 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1-(4-piperidin-1-ylpiperidin-1-yl)ethanimine;hydrochloride is sourced from PubChem (CID 45264412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).