N-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine

C17H22N4 — CID 110270453

IUPACN-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine
SMILESCN(c1ccccc1)c1ccc(CC2CCCNC2)nn1
InChIInChI=1S/C17H22N4/c1-21(16-7-3-2-4-8-16)17-10-9-15(19-20-17)12-14-6-5-11-18-13-14/h2-4,7-10,14,18H,5-6,11-13H2,1H3
InChIKeyBYLHPCYREDYYMO-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.79
Rot. Bonds4

About N-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine

N-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine (PubChem CID 110270453) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine
PubChem CID110270453
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine
SMILESCN(c1ccccc1)c1ccc(CC2CCCNC2)nn1
InChIInChI=1S/C17H22N4/c1-21(16-7-3-2-4-8-16)17-10-9-15(19-20-17)12-14-6-5-11-18-13-14/h2-4,7-10,14,18H,5-6,11-13H2,1H3
InChIKeyBYLHPCYREDYYMO-UHFFFAOYSA-N
XLogP2.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine;dihydrochloride
CID 119057229
6-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 117106274
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
N,N-dimethyl-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-amine
CID 86336453
N-ethyl-N-(piperidin-3-ylmethyl)aniline;hydrochloride
CID 119929267
N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine
CID 120845518
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
CID 117371572
N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine
CID 116973502
2-(N-methylanilino)-N-[[(3S)-piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 11290447
3-chloro-6-(pyrrolidin-3-ylmethyl)pyridazine
CID 117105313
N-methyl-6-[[(3R)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 95816766

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine?
The IUPAC name of N-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine (CID 110270453) is N-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine?
The canonical SMILES for N-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine is CN(c1ccccc1)c1ccc(CC2CCCNC2)nn1.
What is the InChIKey of N-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine?
The InChIKey is BYLHPCYREDYYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-21(16-7-3-2-4-8-16)17-10-9-15(19-20-17)12-14-6-5-11-18-13-14/h2-4,7-10,14,18H,5-6,11-13H2,1H3.
What are the key properties of N-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine?
N-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine has a molecular weight of 282.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-6-(piperidin-3-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 110270453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).