2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine

C19H35FN4 — CID 163854371

IUPAC2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
SMILESCN1C(C2CCC(F)CC2)C(CN2CCNCC2)N2CCCCC12
InChIInChI=1S/C19H35FN4/c1-22-18-4-2-3-11-24(18)17(14-23-12-9-21-10-13-23)19(22)15-5-7-16(20)8-6-15/h15-19,21H,2-14H2,1H3
InChIKeyOXBJJBARGGUWSC-UHFFFAOYSA-N
MW338.52 g/mol
LogP1.91
Rot. Bonds3

About 2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine

2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine (PubChem CID 163854371) has the molecular formula C19H35FN4 and a molecular weight of 338.52 g/mol. Its IUPAC name is 2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
PubChem CID163854371
Molecular FormulaC19H35FN4
Molecular Weight338.52 g/mol
Exact Mass338.28
IUPAC Name2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine
SMILESCN1C(C2CCC(F)CC2)C(CN2CCNCC2)N2CCCCC12
InChIInChI=1S/C19H35FN4/c1-22-18-4-2-3-11-24(18)17(14-23-12-9-21-10-13-23)19(22)15-5-7-16(20)8-6-15/h15-19,21H,2-14H2,1H3
InChIKeyOXBJJBARGGUWSC-UHFFFAOYSA-N
XLogP1.91
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine (CID 163854371) is 2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine is CN1C(C2CCC(F)CC2)C(CN2CCNCC2)N2CCCCC12.
What is the InChIKey of 2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
The InChIKey is OXBJJBARGGUWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35FN4/c1-22-18-4-2-3-11-24(18)17(14-23-12-9-21-10-13-23)19(22)15-5-7-16(20)8-6-15/h15-19,21H,2-14H2,1H3.
What are the key properties of 2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine?
2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine has a molecular weight of 338.52 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexyl)-1-methyl-3-(piperazin-1-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 163854371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).