4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride

C13H23Cl2N5O — CID 139072886

IUPAC4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride
SMILESCOc1nc(Cl)nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)n1.[Cl-]
InChIInChI=1S/C13H22ClN5O.ClH/c1-12(2)6-8(7-13(3,4)19-12)15-10-16-9(14)17-11(18-10)20-5;/h8,19H,6-7H2,1-5H3,(H,15,16,17,18);1H
InChIKeyFRNNZZCQIVKLDB-UHFFFAOYSA-N
MW336.27 g/mol
LogP-1.77
Rot. Bonds3

About 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride

4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride (PubChem CID 139072886) has the molecular formula C13H23Cl2N5O and a molecular weight of 336.27 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride
PubChem CID139072886
Molecular FormulaC13H23Cl2N5O
Molecular Weight336.27 g/mol
Exact Mass335.13
IUPAC Name4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride
SMILESCOc1nc(Cl)nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)n1.[Cl-]
InChIInChI=1S/C13H22ClN5O.ClH/c1-12(2)6-8(7-13(3,4)19-12)15-10-16-9(14)17-11(18-10)20-5;/h8,19H,6-7H2,1-5H3,(H,15,16,17,18);1H
InChIKeyFRNNZZCQIVKLDB-UHFFFAOYSA-N
XLogP-1.77
TPSA76.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride with MolForge

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Related Compounds

2,4-Dichloro-6-(N-(2,2,6,6-tetramethyl-4-piperidinyl)butylamino)-1,3,5-triazine
CID 6454726
2,2,6,6-Tetramethyl-4-(dichlorotriazin)aminopiperidine-1-oxyl
CID 3082236
4,6-dichloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 54565461
2,2,6,6-tetramethylpiperidine 4-amino-(N,N-dichlorotriazine)
CID 192179
6-Chloro-N,N'-bis(3-methoxypropyl)-N,N'-bis(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine-2,4-diamine
CID 11970672
2-Chloro-4,6-bis(2,2,6,6-tetramethyl-4-piperidylamino)-1,3,5-triazine
CID 21468017
6-Chloro-N4-(2,2,6,6-tetramethylpiperidin-4-yl)-N2-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 139073237
N-butyl-4,6-dichloro-N-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 10916139
N-butyl-1-[4-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]-6-chloro-1,3,5-triazin-2-yl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 11699446
2-[N,N-bis(2,2,6,6-tetramethyl-4-piperidyl)amino]-4,6-dichloro-1,3,5-triazine
CID 14365120
4,6-dichloro-N-[2-(2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine
CID 17854729
2,2,6,6-Tetramethylpiperidin-4-amine;2,4,6-trichloro-1,3,5-triazine
CID 19698855

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride?
The IUPAC name of 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride (CID 139072886) is 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride.
What is the SMILES notation for 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride?
The canonical SMILES for 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride is COc1nc(Cl)nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)n1.[Cl-].
What is the InChIKey of 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride?
The InChIKey is FRNNZZCQIVKLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O.ClH/c1-12(2)6-8(7-13(3,4)19-12)15-10-16-9(14)17-11(18-10)20-5;/h8,19H,6-7H2,1-5H3,(H,15,16,17,18);1H.
What are the key properties of 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride?
4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride has a molecular weight of 336.27 g/mol, XLogP of -1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3,5-triazin-2-amine chloride is sourced from PubChem (CID 139072886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).