(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C16H18F2N4 — CID 124545142

IUPAC(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESFc1cccc(F)c1CN[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H18F2N4/c17-14-5-1-6-15(18)13(14)10-19-12-4-3-9-22(11-12)16-7-2-8-20-21-16/h1-2,5-8,12,19H,3-4,9-11H2/t12-/m1/s1
InChIKeyVKLYPVAJJAHUQC-GFCCVEGCSA-N
MW304.34 g/mol
LogP2.51
Rot. Bonds4

About (3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 124545142) has the molecular formula C16H18F2N4 and a molecular weight of 304.34 g/mol. Its IUPAC name is (3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID124545142
Molecular FormulaC16H18F2N4
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESFc1cccc(F)c1CN[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C16H18F2N4/c17-14-5-1-6-15(18)13(14)10-19-12-4-3-9-22(11-12)16-7-2-8-20-21-16/h1-2,5-8,12,19H,3-4,9-11H2/t12-/m1/s1
InChIKeyVKLYPVAJJAHUQC-GFCCVEGCSA-N
XLogP2.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-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

(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
N-[(5-bromo-2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127371
(3S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 129375184
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545122
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 154747903
(3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321236
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 86898842
(1R)-1-(4-fluorophenyl)-2-[[(3R)-1-pyridazin-3-ylpiperidin-3-yl]amino]ethanol
CID 95338968
N-[(3-cyclopentyloxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127383

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 124545142) is (3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is Fc1cccc(F)c1CN[C@@H]1CCCN(c2cccnn2)C1.
What is the InChIKey of (3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is VKLYPVAJJAHUQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18F2N4/c17-14-5-1-6-15(18)13(14)10-19-12-4-3-9-22(11-12)16-7-2-8-20-21-16/h1-2,5-8,12,19H,3-4,9-11H2/t12-/m1/s1.
What are the key properties of (3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine has a molecular weight of 304.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 124545142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).