N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine

C27H34N4 — CID 11080189

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine
SMILESCCCc1cc(NCCC2CCN(Cc3ccccc3)CC2)nnc1-c1ccccc1
InChIInChI=1S/C27H34N4/c1-2-9-25-20-26(29-30-27(25)24-12-7-4-8-13-24)28-17-14-22-15-18-31(19-16-22)21-23-10-5-3-6-11-23/h3-8,10-13,20,22H,2,9,14-19,21H2,1H3,(H,28,29)
InChIKeyQDPFLDICHQNBMJ-UHFFFAOYSA-N
MW414.60 g/mol
LogP5.81
Rot. Bonds9

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine (PubChem CID 11080189) has the molecular formula C27H34N4 and a molecular weight of 414.60 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine
PubChem CID11080189
Molecular FormulaC27H34N4
Molecular Weight414.60 g/mol
Exact Mass414.28
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine
SMILESCCCc1cc(NCCC2CCN(Cc3ccccc3)CC2)nnc1-c1ccccc1
InChIInChI=1S/C27H34N4/c1-2-9-25-20-26(29-30-27(25)24-12-7-4-8-13-24)28-17-14-22-15-18-31(19-16-22)21-23-10-5-3-6-11-23/h3-8,10-13,20,22H,2,9,14-19,21H2,1H3,(H,28,29)
InChIKeyQDPFLDICHQNBMJ-UHFFFAOYSA-N
XLogP5.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.60
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Minaprine
CID 4199
Minaprine Hydrochloride
CID 33254
Jnj-37822681
CID 16058752
SR 95191
CID 72119
N-benzyl-4-methylphthalazin-1-amine
CID 6401675
4-Morpholineethanamine, N-(4,6-diphenyl-3-pyridazinyl)-
CID 6410811
N-[2-(4-morpholinyl)ethyl]-6,7-dihydro-5H-benzo[2,3]cyclohepta[2,4-d]pyridazin-3-amine
CID 195165
N-benzyl-4-(4-methylphenyl)phthalazin-1-amine
CID 6401678
4-Morpholineethanamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, monohydrochloride
CID 6410797
(3H)A-585539
CID 23643135
N,6-bis(4-fluorophenyl)pyridazin-3-amine
CID 6411189
N-(3-fluorophenyl)-6-(4-fluorophenyl)pyridazin-3-amine
CID 6411191

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine (CID 11080189) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine is CCCc1cc(NCCC2CCN(Cc3ccccc3)CC2)nnc1-c1ccccc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine?
The InChIKey is QDPFLDICHQNBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4/c1-2-9-25-20-26(29-30-27(25)24-12-7-4-8-13-24)28-17-14-22-15-18-31(19-16-22)21-23-10-5-3-6-11-23/h3-8,10-13,20,22H,2,9,14-19,21H2,1H3,(H,28,29).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-phenyl-5-propylpyridazin-3-amine has a molecular weight of 414.60 g/mol, XLogP of 5.81, 9 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-phenyl-5-propylpyridazin-3-amine is sourced from PubChem (CID 11080189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).