2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine

C10H10Cl6N4 — CID 138679171

IUPAC2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESClC(Cl)(Cl)c1nc(C2CCCCN2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C10H10Cl6N4/c11-9(12,13)7-18-6(5-3-1-2-4-17-5)19-8(20-7)10(14,15)16/h5,17H,1-4H2
InChIKeyLZBJOLXORXMVQY-UHFFFAOYSA-N
MW398.94 g/mol
LogP4.34
Rot. Bonds1

About 2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine

2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 138679171) has the molecular formula C10H10Cl6N4 and a molecular weight of 398.94 g/mol. Its IUPAC name is 2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine
PubChem CID138679171
Molecular FormulaC10H10Cl6N4
Molecular Weight398.94 g/mol
Exact Mass395.90
IUPAC Name2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESClC(Cl)(Cl)c1nc(C2CCCCN2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C10H10Cl6N4/c11-9(12,13)7-18-6(5-3-1-2-4-17-5)19-8(20-7)10(14,15)16/h5,17H,1-4H2
InChIKeyLZBJOLXORXMVQY-UHFFFAOYSA-N
XLogP4.34
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine
CID 174788663
4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride
CID 155895891
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
5-methyl-2-piperidin-2-ylpyrimidine
CID 63317257
3-(azepan-2-yl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 104541146
2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine
CID 104915236
2-chloro-4,6-dimethyl-5-piperidin-2-ylpyrimidine
CID 115070130
4-cyclopropyl-2-piperidin-2-yl-6-propan-2-ylpyrimidine
CID 63319142
5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 62677702
5-(3-chloro-2-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81262903
3-[(2S)-azepan-2-yl]-1,2,4-oxadiazole
CID 97184692
4-methyl-6-(2-methylpropyl)-2-piperidin-2-ylpyrimidine
CID 116893407

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 138679171) is 2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine is ClC(Cl)(Cl)c1nc(C2CCCCN2)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The InChIKey is LZBJOLXORXMVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl6N4/c11-9(12,13)7-18-6(5-3-1-2-4-17-5)19-8(20-7)10(14,15)16/h5,17H,1-4H2.
What are the key properties of 2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine?
2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 398.94 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 138679171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).