N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine

C26H32N4 — CID 59867557

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1cc(-c2ccccc2)nnc1NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H32N4/c1-20(2)24-17-25(23-11-7-4-8-12-23)28-29-26(24)27-18-21-13-15-30(16-14-21)19-22-9-5-3-6-10-22/h3-12,17,20-21H,13-16,18-19H2,1-2H3,(H,27,29)
InChIKeyONZYNHBWBMERMD-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.59
Rot. Bonds7

About N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine

N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine (PubChem CID 59867557) has the molecular formula C26H32N4 and a molecular weight of 400.57 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine
PubChem CID59867557
Molecular FormulaC26H32N4
Molecular Weight400.57 g/mol
Exact Mass400.26
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine
SMILESCC(C)c1cc(-c2ccccc2)nnc1NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H32N4/c1-20(2)24-17-25(23-11-7-4-8-12-23)28-29-26(24)27-18-21-13-15-30(16-14-21)19-22-9-5-3-6-10-22/h3-12,17,20-21H,13-16,18-19H2,1-2H3,(H,27,29)
InChIKeyONZYNHBWBMERMD-UHFFFAOYSA-N
XLogP5.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(4-fluorophenyl)pyridazin-3-amine
CID 10949178
N-[(1-benzylpiperidin-4-yl)methyl]-4-naphthalen-2-ylpyrimidin-2-amine
CID 68730680
tris(N-(cyclopropylmethyl)-6-phenyl-4-pyridin-4-ylpyridazin-3-amine);hydrochloride
CID 54759460
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2,4,6-trimethylphenyl)pyridazin-3-amine
CID 10938587
N-(cyclopropylmethyl)-6-phenyl-4-pyridin-4-ylpyridazin-3-amine;hydrobromide
CID 54762207
1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 90459229
1-(1-benzylpiperidin-4-yl)-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 110985940
6-(1,3-benzodioxol-5-yl)-N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine
CID 11026115
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-3-methylbutanamide
CID 66565315
ethyl 6-[(1-benzylpiperidin-4-yl)methylamino]-5-cyano-2-methyl-4-phenylpyridine-3-carboxylate
CID 155559537
1-(1-benzylpiperidin-4-yl)-3-methylbutan-2-amine
CID 83983169
1-benzyl-N-[1-(7-chloro-2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 122554559

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine (CID 59867557) is N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine is CC(C)c1cc(-c2ccccc2)nnc1NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine?
The InChIKey is ONZYNHBWBMERMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4/c1-20(2)24-17-25(23-11-7-4-8-12-23)28-29-26(24)27-18-21-13-15-30(16-14-21)19-22-9-5-3-6-10-22/h3-12,17,20-21H,13-16,18-19H2,1-2H3,(H,27,29).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine?
N-[(1-benzylpiperidin-4-yl)methyl]-6-phenyl-4-propan-2-ylpyridazin-3-amine has a molecular weight of 400.57 g/mol, XLogP of 5.59, 7 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-phenyl-4-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 59867557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).