N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine

C17H21ClN4 — CID 70731177

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine
SMILESCc1ccc(NC2CCCN(Cc3ccc(Cl)cc3)C2)nn1
InChIInChI=1S/C17H21ClN4/c1-13-4-9-17(21-20-13)19-16-3-2-10-22(12-16)11-14-5-7-15(18)8-6-14/h4-9,16H,2-3,10-12H2,1H3,(H,19,21)
InChIKeyZAVABWAERLXVJB-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.51
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine (PubChem CID 70731177) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine
PubChem CID70731177
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine
SMILESCc1ccc(NC2CCCN(Cc3ccc(Cl)cc3)C2)nn1
InChIInChI=1S/C17H21ClN4/c1-13-4-9-17(21-20-13)19-16-3-2-10-22(12-16)11-14-5-7-15(18)8-6-14/h4-9,16H,2-3,10-12H2,1H3,(H,19,21)
InChIKeyZAVABWAERLXVJB-UHFFFAOYSA-N
XLogP3.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine (CID 70731177) is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine is Cc1ccc(NC2CCCN(Cc3ccc(Cl)cc3)C2)nn1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine?
The InChIKey is ZAVABWAERLXVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-13-4-9-17(21-20-13)19-16-3-2-10-22(12-16)11-14-5-7-15(18)8-6-14/h4-9,16H,2-3,10-12H2,1H3,(H,19,21).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine?
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine has a molecular weight of 316.84 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-6-methylpyridazin-3-amine is sourced from PubChem (CID 70731177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).