2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine

C14H21F2N5O — CID 154789781

IUPAC2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(N2CCCC(F)C2)nc(N2CCCC(F)C2)n1
InChIInChI=1S/C14H21F2N5O/c1-22-14-18-12(20-6-2-4-10(15)8-20)17-13(19-14)21-7-3-5-11(16)9-21/h10-11H,2-9H2,1H3
InChIKeyNMFGSTGIRXFHHJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.76
Rot. Bonds3

About 2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine

2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine (PubChem CID 154789781) has the molecular formula C14H21F2N5O and a molecular weight of 313.35 g/mol. Its IUPAC name is 2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine
PubChem CID154789781
Molecular FormulaC14H21F2N5O
Molecular Weight313.35 g/mol
Exact Mass313.17
IUPAC Name2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine
SMILESCOc1nc(N2CCCC(F)C2)nc(N2CCCC(F)C2)n1
InChIInChI=1S/C14H21F2N5O/c1-22-14-18-12(20-6-2-4-10(15)8-20)17-13(19-14)21-7-3-5-11(16)9-21/h10-11H,2-9H2,1H3
InChIKeyNMFGSTGIRXFHHJ-UHFFFAOYSA-N
XLogP1.76
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4,6-Di-piperidin-1-yl-[1,3,5]triazin-2-yloxy)-acetonitrile
CID 3158768
2-Chloro-4-methoxy-6-(piperidin-1-yl)-1,3,5-triazine
CID 611667
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-4,6-di(piperidin-1-yl)-1,3,5-triazine
CID 1113194
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-(Morpholin-4-yl)-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 4687910
2,4-Difluoro-6-(piperidin-1-yl)-1,3,5-triazine
CID 19897295
N,N-dimethyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 719062
N,N-diethyl-4,6-bis(1-methylpiperidin-1-ium-1-yl)-1,3,5-triazin-2-amine
CID 162403833
2,4-Bis(1-ethylpiperidin-1-ium-1-yl)-6-methoxy-1,3,5-triazine
CID 162403949
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 3273428
1,1'-(6-Oxido-1,3,5-triazine-2,4-diyl)bis(1-methylpiperidinium) tetrafluoroborate(1-)
CID 44144631

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine (CID 154789781) is 2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine is COc1nc(N2CCCC(F)C2)nc(N2CCCC(F)C2)n1.
What is the InChIKey of 2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine?
The InChIKey is NMFGSTGIRXFHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5O/c1-22-14-18-12(20-6-2-4-10(15)8-20)17-13(19-14)21-7-3-5-11(16)9-21/h10-11H,2-9H2,1H3.
What are the key properties of 2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine?
2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine has a molecular weight of 313.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-fluoropiperidin-1-yl)-6-methoxy-1,3,5-triazine is sourced from PubChem (CID 154789781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).