N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine

C18H24N4 — CID 11808607

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine
SMILESc1ccc(CN2CCC(CCNc3cccnn3)CC2)cc1
InChIInChI=1S/C18H24N4/c1-2-5-17(6-3-1)15-22-13-9-16(10-14-22)8-12-19-18-7-4-11-20-21-18/h1-7,11,16H,8-10,12-15H2,(H,19,21)
InChIKeyRVBMTSYOLZAZEN-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine

N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine (PubChem CID 11808607) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine
PubChem CID11808607
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine
SMILESc1ccc(CN2CCC(CCNc3cccnn3)CC2)cc1
InChIInChI=1S/C18H24N4/c1-2-5-17(6-3-1)15-22-13-9-16(10-14-22)8-12-19-18-7-4-11-20-21-18/h1-7,11,16H,8-10,12-15H2,(H,19,21)
InChIKeyRVBMTSYOLZAZEN-UHFFFAOYSA-N
XLogP3.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine (CID 11808607) is N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine is c1ccc(CN2CCC(CCNc3cccnn3)CC2)cc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine?
The InChIKey is RVBMTSYOLZAZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-5-17(6-3-1)15-22-13-9-16(10-14-22)8-12-19-18-7-4-11-20-21-18/h1-7,11,16H,8-10,12-15H2,(H,19,21).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine?
N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine has a molecular weight of 296.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 11808607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).