2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane

C16H28F3N3 — CID 90253376

IUPAC2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane
SMILESCC1CNC(C2CNC(C3CCC(F)C(F)C3)C(F)C2)NC1
InChIInChI=1S/C16H28F3N3/c1-9-6-21-16(22-7-9)11-5-14(19)15(20-8-11)10-2-3-12(17)13(18)4-10/h9-16,20-22H,2-8H2,1H3
InChIKeyRSXLUXGOAIWDLK-UHFFFAOYSA-N
MW319.42 g/mol
LogP1.93
Rot. Bonds2

About 2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane

2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane (PubChem CID 90253376) has the molecular formula C16H28F3N3 and a molecular weight of 319.42 g/mol. Its IUPAC name is 2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane.

Molecular Properties

Compound Name2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane
PubChem CID90253376
Molecular FormulaC16H28F3N3
Molecular Weight319.42 g/mol
Exact Mass319.22
IUPAC Name2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane
SMILESCC1CNC(C2CNC(C3CCC(F)C(F)C3)C(F)C2)NC1
InChIInChI=1S/C16H28F3N3/c1-9-6-21-16(22-7-9)11-5-14(19)15(20-8-11)10-2-3-12(17)13(18)4-10/h9-16,20-22H,2-8H2,1H3
InChIKeyRSXLUXGOAIWDLK-UHFFFAOYSA-N
XLogP1.93
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane?
The IUPAC name of 2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane (CID 90253376) is 2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane.
What is the SMILES notation for 2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane?
The canonical SMILES for 2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane is CC1CNC(C2CNC(C3CCC(F)C(F)C3)C(F)C2)NC1.
What is the InChIKey of 2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane?
The InChIKey is RSXLUXGOAIWDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3/c1-9-6-21-16(22-7-9)11-5-14(19)15(20-8-11)10-2-3-12(17)13(18)4-10/h9-16,20-22H,2-8H2,1H3.
What are the key properties of 2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane?
2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane has a molecular weight of 319.42 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-difluorocyclohexyl)-5-fluoropiperidin-3-yl]-5-methyl-1,3-diazinane is sourced from PubChem (CID 90253376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).