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

C24H28N4 — CID 10067904

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine
SMILESc1ccc(CN2CCC(CCNc3ccc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C24H28N4/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)
InChIKeyPHORSJQGLQBIOY-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.86
Rot. Bonds7

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine (PubChem CID 10067904) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine
PubChem CID10067904
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine
SMILESc1ccc(CN2CCC(CCNc3ccc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C24H28N4/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)
InChIKeyPHORSJQGLQBIOY-UHFFFAOYSA-N
XLogP4.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.86
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?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine (CID 10067904) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine is c1ccc(CN2CCC(CCNc3ccc(-c4ccccc4)nn3)CC2)cc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine?
The InChIKey is PHORSJQGLQBIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/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).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenylpyridazin-3-amine has a molecular weight of 372.52 g/mol, XLogP of 4.86, 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 is sourced from PubChem (CID 10067904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).