2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane

C17H29F4N3 — CID 126514848

IUPAC2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane
SMILESCC1CNC(C2CNC(C3CCC(C(F)(F)F)CC3)C(F)C2)NC1
InChIInChI=1S/C17H29F4N3/c1-10-7-23-16(24-8-10)12-6-14(18)15(22-9-12)11-2-4-13(5-3-11)17(19,20)21/h10-16,22-24H,2-9H2,1H3
InChIKeyRPCMTCSEPSEGDS-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.83
Rot. Bonds2

About 2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane

2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane (PubChem CID 126514848) has the molecular formula C17H29F4N3 and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane.

Molecular Properties

Compound Name2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane
PubChem CID126514848
Molecular FormulaC17H29F4N3
Molecular Weight351.43 g/mol
Exact Mass351.23
IUPAC Name2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane
SMILESCC1CNC(C2CNC(C3CCC(C(F)(F)F)CC3)C(F)C2)NC1
InChIInChI=1S/C17H29F4N3/c1-10-7-23-16(24-8-10)12-6-14(18)15(22-9-12)11-2-4-13(5-3-11)17(19,20)21/h10-16,22-24H,2-9H2,1H3
InChIKeyRPCMTCSEPSEGDS-UHFFFAOYSA-N
XLogP2.83
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane?
The IUPAC name of 2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane (CID 126514848) is 2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane.
What is the SMILES notation for 2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane?
The canonical SMILES for 2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane is CC1CNC(C2CNC(C3CCC(C(F)(F)F)CC3)C(F)C2)NC1.
What is the InChIKey of 2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane?
The InChIKey is RPCMTCSEPSEGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F4N3/c1-10-7-23-16(24-8-10)12-6-14(18)15(22-9-12)11-2-4-13(5-3-11)17(19,20)21/h10-16,22-24H,2-9H2,1H3.
What are the key properties of 2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane?
2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane has a molecular weight of 351.43 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]piperidin-3-yl]-5-methyl-1,3-diazinane is sourced from PubChem (CID 126514848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).