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

C25H30N4 — CID 11058147

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methyl-6-phenylpyridazin-3-amine
SMILESCc1cc(-c2ccccc2)nnc1NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H30N4/c1-20-18-24(23-10-6-3-7-11-23)27-28-25(20)26-15-12-21-13-16-29(17-14-21)19-22-8-4-2-5-9-22/h2-11,18,21H,12-17,19H2,1H3,(H,26,28)
InChIKeyDPFDEENBDAFSHC-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.17
Rot. Bonds7

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

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methyl-6-phenylpyridazin-3-amine (PubChem CID 11058147) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methyl-6-phenylpyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methyl-6-phenylpyridazin-3-amine
PubChem CID11058147
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methyl-6-phenylpyridazin-3-amine
SMILESCc1cc(-c2ccccc2)nnc1NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H30N4/c1-20-18-24(23-10-6-3-7-11-23)27-28-25(20)26-15-12-21-13-16-29(17-14-21)19-22-8-4-2-5-9-22/h2-11,18,21H,12-17,19H2,1H3,(H,26,28)
InChIKeyDPFDEENBDAFSHC-UHFFFAOYSA-N
XLogP5.17
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.17
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]-4-methyl-6-phenylpyridazin-3-amine?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methyl-6-phenylpyridazin-3-amine (CID 11058147) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methyl-6-phenylpyridazin-3-amine.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methyl-6-phenylpyridazin-3-amine?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methyl-6-phenylpyridazin-3-amine is Cc1cc(-c2ccccc2)nnc1NCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methyl-6-phenylpyridazin-3-amine?
The InChIKey is DPFDEENBDAFSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-20-18-24(23-10-6-3-7-11-23)27-28-25(20)26-15-12-21-13-16-29(17-14-21)19-22-8-4-2-5-9-22/h2-11,18,21H,12-17,19H2,1H3,(H,26,28).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methyl-6-phenylpyridazin-3-amine?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methyl-6-phenylpyridazin-3-amine has a molecular weight of 386.54 g/mol, XLogP of 5.17, 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]-4-methyl-6-phenylpyridazin-3-amine is sourced from PubChem (CID 11058147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).