(2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine

C20H28N4O — CID 125141934

IUPAC(2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine
SMILESCOc1ccc(CN(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nn1
InChIInChI=1S/C20H28N4O/c1-16-13-19(11-12-24(16)14-17-7-5-4-6-8-17)23(2)15-18-9-10-20(25-3)22-21-18/h4-10,16,19H,11-15H2,1-3H3/t16-,19-/m0/s1
InChIKeySVGWSHQWTWDSEB-LPHOPBHVSA-N
MW340.47 g/mol
LogP2.97
Rot. Bonds6

About (2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine

(2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine (PubChem CID 125141934) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine
PubChem CID125141934
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine
SMILESCOc1ccc(CN(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nn1
InChIInChI=1S/C20H28N4O/c1-16-13-19(11-12-24(16)14-17-7-5-4-6-8-17)23(2)15-18-9-10-20(25-3)22-21-18/h4-10,16,19H,11-15H2,1-3H3/t16-,19-/m0/s1
InChIKeySVGWSHQWTWDSEB-LPHOPBHVSA-N
XLogP2.97
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]methyl]benzoic acid
CID 122029049
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine
CID 120752901
4-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]butan-1-ol
CID 111436462
(2S)-3-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]propane-1,2-diol
CID 126841736
2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride
CID 119883039
(2S)-2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N,3,3-trimethylbutanamide
CID 124691163
1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea
CID 95632987
3-[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120982758
1-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopropane-1-carboxamide
CID 119883030
[4-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438410
3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one
CID 95632888
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine?
The IUPAC name of (2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine (CID 125141934) is (2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine.
What is the SMILES notation for (2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine?
The canonical SMILES for (2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine is COc1ccc(CN(C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)nn1.
What is the InChIKey of (2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine?
The InChIKey is SVGWSHQWTWDSEB-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-13-19(11-12-24(16)14-17-7-5-4-6-8-17)23(2)15-18-9-10-20(25-3)22-21-18/h4-10,16,19H,11-15H2,1-3H3/t16-,19-/m0/s1.
What are the key properties of (2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine?
(2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine has a molecular weight of 340.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-benzyl-N-[(6-methoxypyridazin-3-yl)methyl]-N,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 125141934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).