6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine

C18H24N4 — CID 70742643

IUPAC6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine
SMILESCc1ccc(NC2CCCN(CCc3ccccc3)C2)nn1
InChIInChI=1S/C18H24N4/c1-15-9-10-18(21-20-15)19-17-8-5-12-22(14-17)13-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,19,21)
InChIKeyQFOVRFJAXWGLED-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.90
Rot. Bonds5

About 6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine

6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine (PubChem CID 70742643) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine
PubChem CID70742643
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine
SMILESCc1ccc(NC2CCCN(CCc3ccccc3)C2)nn1
InChIInChI=1S/C18H24N4/c1-15-9-10-18(21-20-15)19-17-8-5-12-22(14-17)13-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,19,21)
InChIKeyQFOVRFJAXWGLED-UHFFFAOYSA-N
XLogP2.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine?
The IUPAC name of 6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine (CID 70742643) is 6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine is Cc1ccc(NC2CCCN(CCc3ccccc3)C2)nn1.
What is the InChIKey of 6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine?
The InChIKey is QFOVRFJAXWGLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-15-9-10-18(21-20-15)19-17-8-5-12-22(14-17)13-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3,(H,19,21).
What are the key properties of 6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine?
6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine has a molecular weight of 296.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 70742643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).