(3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine

C10H14FIN4 — CID 134406459

IUPAC(3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine
SMILESCN[C@@H]1CCN(c2ccc(I)nn2)C[C@@H]1F
InChIInChI=1S/C10H14FIN4/c1-13-8-4-5-16(6-7(8)11)10-3-2-9(12)14-15-10/h2-3,7-8,13H,4-6H2,1H3/t7-,8+/m0/s1
InChIKeyKGSYKIYVXQXEDU-JGVFFNPUSA-N
MW336.15 g/mol
LogP1.22
Rot. Bonds2

About (3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine

(3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine (PubChem CID 134406459) has the molecular formula C10H14FIN4 and a molecular weight of 336.15 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine
PubChem CID134406459
Molecular FormulaC10H14FIN4
Molecular Weight336.15 g/mol
Exact Mass336.02
IUPAC Name(3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine
SMILESCN[C@@H]1CCN(c2ccc(I)nn2)C[C@@H]1F
InChIInChI=1S/C10H14FIN4/c1-13-8-4-5-16(6-7(8)11)10-3-2-9(12)14-15-10/h2-3,7-8,13H,4-6H2,1H3/t7-,8+/m0/s1
InChIKeyKGSYKIYVXQXEDU-JGVFFNPUSA-N
XLogP1.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine with MolForge

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Related Compounds

3-(3-fluoro-4-propan-2-ylpiperidin-1-yl)-6-methylpyridazine
CID 67965093
3-[(3R,4R)-3-fluoro-4-methylpiperidin-1-yl]-6-(trifluoromethyl)pyridazine
CID 162588651
N-cyclopropyl-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 77463574
(3S,4R)-3-fluoro-N,1-dimethylpiperidin-4-amine
CID 55287556
1-(6-cyclobutylpyridazin-3-yl)-N-methylpyrrolidin-3-amine
CID 116972984
3-iodo-6-[3-(trifluoromethyl)piperazin-1-yl]pyridazine
CID 134405828
1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine
CID 116972417
N-[(3S,4R)-1-(5-bromo-2-pyridinyl)-3-fluoropiperidin-4-yl]acetamide
CID 146241785
3-ethynyl-6-(3-fluoro-4-propan-2-ylpiperidin-1-yl)pyridazine
CID 89449483
6-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]pyridazine-3-carbonitrile
CID 141208354
N,3-dimethyl-1-(1-methylpyrazol-3-yl)piperidin-4-amine
CID 79779493
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine?
The IUPAC name of (3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine (CID 134406459) is (3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine?
The canonical SMILES for (3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine is CN[C@@H]1CCN(c2ccc(I)nn2)C[C@@H]1F.
What is the InChIKey of (3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine?
The InChIKey is KGSYKIYVXQXEDU-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H14FIN4/c1-13-8-4-5-16(6-7(8)11)10-3-2-9(12)14-15-10/h2-3,7-8,13H,4-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine?
(3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine has a molecular weight of 336.15 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-1-(6-iodopyridazin-3-yl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 134406459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).