2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine

C11H17ClN4O — CID 5150976

IUPAC2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCCCC2C)n1
InChIInChI=1S/C11H17ClN4O/c1-3-17-11-14-9(12)13-10(15-11)16-7-5-4-6-8(16)2/h8H,3-7H2,1-2H3
InChIKeyCXKWFXSFHJFFBZ-UHFFFAOYSA-N
MW256.74 g/mol
LogP2.30
Rot. Bonds3

About 2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine

2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine (PubChem CID 5150976) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine
PubChem CID5150976
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCCCC2C)n1
InChIInChI=1S/C11H17ClN4O/c1-3-17-11-14-9(12)13-10(15-11)16-7-5-4-6-8(16)2/h8H,3-7H2,1-2H3
InChIKeyCXKWFXSFHJFFBZ-UHFFFAOYSA-N
XLogP2.30
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-Methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
CID 4918510
2,4-Diethoxy-6-(4-methyl-piperidin-1-yl)-[1,3,5]triazine
CID 646455
2-Chloro-4-methoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 611667
4-chloro-N,N-dicyclohexyl-6-ethoxy-1,3,5-triazin-2-amine
CID 831338
2-(Piperidin-1-yl)-4,6-bis(prop-2-yn-1-yloxy)-1,3,5-triazine
CID 4332938
2,4-Dimethoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 816732
2-(1-Ethylpiperidin-1-ium-1-yl)-4,6-dimethoxy-1,3,5-triazine
CID 18420077
2-Chloro-4-ethoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 706525
(4-Ethoxy-6-piperidin-1-yl-[1,3,5]triazin-2-yloxy)-acetonitrile
CID 3901394
2-Chloro-4-methoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine
CID 4007842
2-(2-Chloroethoxy)-4-dimethylamino-6-piperidino-sym-triazine
CID 4874050
2-Chloro-4-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 62868246

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine (CID 5150976) is 2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine is CCOc1nc(Cl)nc(N2CCCCC2C)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine?
The InChIKey is CXKWFXSFHJFFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-3-17-11-14-9(12)13-10(15-11)16-7-5-4-6-8(16)2/h8H,3-7H2,1-2H3.
What are the key properties of 2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine?
2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine has a molecular weight of 256.74 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-(2-methylpiperidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 5150976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).