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

C23H26N4 — CID 10689771

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-6-phenylpyridazin-3-amine
SMILESc1ccc(CN2CCC(CNc3ccc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C23H26N4/c1-3-7-20(8-4-1)18-27-15-13-19(14-16-27)17-24-23-12-11-22(25-26-23)21-9-5-2-6-10-21/h1-12,19H,13-18H2,(H,24,26)
InChIKeyILVVJZQAAIEDFM-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.47
Rot. Bonds6

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

N-[(1-benzylpiperidin-4-yl)methyl]-6-phenylpyridazin-3-amine (PubChem CID 10689771) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-6-phenylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-6-phenylpyridazin-3-amine
PubChem CID10689771
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-6-phenylpyridazin-3-amine
SMILESc1ccc(CN2CCC(CNc3ccc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C23H26N4/c1-3-7-20(8-4-1)18-27-15-13-19(14-16-27)17-24-23-12-11-22(25-26-23)21-9-5-2-6-10-21/h1-12,19H,13-18H2,(H,24,26)
InChIKeyILVVJZQAAIEDFM-UHFFFAOYSA-N
XLogP4.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-6-phenylpyridazin-3-amine?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-6-phenylpyridazin-3-amine (CID 10689771) is N-[(1-benzylpiperidin-4-yl)methyl]-6-phenylpyridazin-3-amine.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-6-phenylpyridazin-3-amine?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-6-phenylpyridazin-3-amine is c1ccc(CN2CCC(CNc3ccc(-c4ccccc4)nn3)CC2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-6-phenylpyridazin-3-amine?
The InChIKey is ILVVJZQAAIEDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-3-7-20(8-4-1)18-27-15-13-19(14-16-27)17-24-23-12-11-22(25-26-23)21-9-5-2-6-10-21/h1-12,19H,13-18H2,(H,24,26).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-6-phenylpyridazin-3-amine?
N-[(1-benzylpiperidin-4-yl)methyl]-6-phenylpyridazin-3-amine has a molecular weight of 358.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-6-phenylpyridazin-3-amine is sourced from PubChem (CID 10689771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).