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

C16H18Cl2N4 — CID 59805852

IUPAC6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine
SMILESClc1ccc(CN2CCC(Nc3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C16H18Cl2N4/c17-13-3-1-12(2-4-13)11-22-9-7-14(8-10-22)19-16-6-5-15(18)20-21-16/h1-6,14H,7-11H2,(H,19,21)
InChIKeyNADHCEUNEZTHGU-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.86
Rot. Bonds4

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

6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine (PubChem CID 59805852) has the molecular formula C16H18Cl2N4 and a molecular weight of 337.25 g/mol. Its IUPAC name is 6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine
PubChem CID59805852
Molecular FormulaC16H18Cl2N4
Molecular Weight337.25 g/mol
Exact Mass336.09
IUPAC Name6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine
SMILESClc1ccc(CN2CCC(Nc3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C16H18Cl2N4/c17-13-3-1-12(2-4-13)11-22-9-7-14(8-10-22)19-16-6-5-15(18)20-21-16/h1-6,14H,7-11H2,(H,19,21)
InChIKeyNADHCEUNEZTHGU-UHFFFAOYSA-N
XLogP3.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-chloropyridazin-3-amine
CID 90802730
6-chloro-N-(oxan-4-yl)pyridazin-3-amine
CID 43610418
6-chloro-N-[[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridazin-3-amine
CID 91538789
2-(4-chlorophenyl)-N-[6-(cyclopropylamino)pyridazin-3-yl]acetamide
CID 113038076
6-[[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]amino]pyridazine-3-carbonitrile
CID 24989201
N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133453499
4-bromo-1-[(4-chlorophenyl)methyl]piperidine
CID 80679127
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
6-chloro-4-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 55829581
3-cyclopropyl-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133295400
2-N-(1-benzylpiperidin-4-yl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 70694566
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine (CID 59805852) is 6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine is Clc1ccc(CN2CCC(Nc3ccc(Cl)nn3)CC2)cc1.
What is the InChIKey of 6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine?
The InChIKey is NADHCEUNEZTHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4/c17-13-3-1-12(2-4-13)11-22-9-7-14(8-10-22)19-16-6-5-15(18)20-21-16/h1-6,14H,7-11H2,(H,19,21).
What are the key properties of 6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine?
6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine has a molecular weight of 337.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridazin-3-amine is sourced from PubChem (CID 59805852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).