3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride

C19H28ClFN2O — CID 110184358

IUPAC3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride
SMILESO=C(CCC1CCCCC1)[NH+]1CCN(c2ccccc2F)CC1.[Cl-]
InChIInChI=1S/C19H27FN2O.ClH/c20-17-8-4-5-9-18(17)21-12-14-22(15-13-21)19(23)11-10-16-6-2-1-3-7-16;/h4-5,8-9,16H,1-3,6-7,10-15H2;1H
InChIKeyLAMUSGDKMFKGKP-UHFFFAOYSA-N
MW354.90 g/mol
LogP-0.58
Rot. Bonds4

About 3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride

3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride (PubChem CID 110184358) has the molecular formula C19H28ClFN2O and a molecular weight of 354.90 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride
PubChem CID110184358
Molecular FormulaC19H28ClFN2O
Molecular Weight354.90 g/mol
Exact Mass354.19
IUPAC Name3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride
SMILESO=C(CCC1CCCCC1)[NH+]1CCN(c2ccccc2F)CC1.[Cl-]
InChIInChI=1S/C19H27FN2O.ClH/c20-17-8-4-5-9-18(17)21-12-14-22(15-13-21)19(23)11-10-16-6-2-1-3-7-16;/h4-5,8-9,16H,1-3,6-7,10-15H2;1H
InChIKeyLAMUSGDKMFKGKP-UHFFFAOYSA-N
XLogP-0.58
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(cyclohexylmethyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 2565316
2-(4-cyclohexylpiperazine-1,4-diium-1-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 7417741
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029809
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]cyclohexane-1-carboxamide
CID 68812324
1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113166319
1-[4-(2-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione
CID 108958783
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one
CID 64868635
1-(2-cyclohexylethyl)-4-(2,3-difluorophenyl)piperazine
CID 91353015

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride?
The IUPAC name of 3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride (CID 110184358) is 3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride.
What is the SMILES notation for 3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride?
The canonical SMILES for 3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride is O=C(CCC1CCCCC1)[NH+]1CCN(c2ccccc2F)CC1.[Cl-].
What is the InChIKey of 3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride?
The InChIKey is LAMUSGDKMFKGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O.ClH/c20-17-8-4-5-9-18(17)21-12-14-22(15-13-21)19(23)11-10-16-6-2-1-3-7-16;/h4-5,8-9,16H,1-3,6-7,10-15H2;1H.
What are the key properties of 3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride?
3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride has a molecular weight of 354.90 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-1-one chloride is sourced from PubChem (CID 110184358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).