N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride

C24H30Cl2N4 — CID 90664279

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CN2CCC(CCNc3ccc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C24H28N4.2ClH/c1-3-7-21(8-4-1)19-28-17-14-20(15-18-28)13-16-25-24-12-11-23(26-27-24)22-9-5-2-6-10-22;;/h1-12,20H,13-19H2,(H,25,27);2*1H
InChIKeyWDWFCIJAURUIPR-UHFFFAOYSA-N
MW445.44 g/mol
LogP5.70
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride (PubChem CID 90664279) has the molecular formula C24H30Cl2N4 and a molecular weight of 445.44 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride
PubChem CID90664279
Molecular FormulaC24H30Cl2N4
Molecular Weight445.44 g/mol
Exact Mass444.18
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CN2CCC(CCNc3ccc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C24H28N4.2ClH/c1-3-7-21(8-4-1)19-28-17-14-20(15-18-28)13-16-25-24-12-11-23(26-27-24)22-9-5-2-6-10-22;;/h1-12,20H,13-19H2,(H,25,27);2*1H
InChIKeyWDWFCIJAURUIPR-UHFFFAOYSA-N
XLogP5.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.44
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride (CID 90664279) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride is Cl.Cl.c1ccc(CN2CCC(CCNc3ccc(-c4ccccc4)nn3)CC2)cc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride?
The InChIKey is WDWFCIJAURUIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4.2ClH/c1-3-7-21(8-4-1)19-28-17-14-20(15-18-28)13-16-25-24-12-11-23(26-27-24)22-9-5-2-6-10-22;;/h1-12,20H,13-19H2,(H,25,27);2*1H.
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride has a molecular weight of 445.44 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine;dihydrochloride is sourced from PubChem (CID 90664279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).