piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride

C12H20ClF3N2O — CID 119402656

IUPACpiperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
SMILESCl.O=C(C1CCCCC1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C12H19F3N2O.ClH/c13-12(14,15)10-4-2-1-3-9(10)11(18)17-7-5-16-6-8-17;/h9-10,16H,1-8H2;1H
InChIKeyBQIFEBWUNDRKIF-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.21
Rot. Bonds1

About piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride

piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride (PubChem CID 119402656) has the molecular formula C12H20ClF3N2O and a molecular weight of 300.75 g/mol. Its IUPAC name is piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride.

Molecular Properties

Compound Namepiperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
PubChem CID119402656
Molecular FormulaC12H20ClF3N2O
Molecular Weight300.75 g/mol
Exact Mass300.12
IUPAC Namepiperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
SMILESCl.O=C(C1CCCCC1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C12H19F3N2O.ClH/c13-12(14,15)10-4-2-1-3-9(10)11(18)17-7-5-16-6-8-17;/h9-10,16H,1-8H2;1H
InChIKeyBQIFEBWUNDRKIF-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-diazepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119417244
azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 115583695
1-[(1R,2R)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidine-4-carboxylic acid
CID 97323784
1-[2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-one
CID 113343194
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 103857587
1-[1-[(1S,2S)-2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]imidazolidin-2-one
CID 94628072
cis-(1R,2S)-2-(piperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 42427085
[4-(2-hydroxycyclopentyl)piperazin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 71932492
1-pyrrolidin-1-yl-2-[1-[2-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]ethanone
CID 71893538
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 119647074
3-amino-1-[2-(trifluoromethyl)cyclohexanecarbonyl]pyrrolidine-3-carboxylic acid
CID 107323011
[3-(2-bromoethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 114801501

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride?
The IUPAC name of piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride (CID 119402656) is piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride.
What is the SMILES notation for piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride?
The canonical SMILES for piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride is Cl.O=C(C1CCCCC1C(F)(F)F)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride?
The InChIKey is BQIFEBWUNDRKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O.ClH/c13-12(14,15)10-4-2-1-3-9(10)11(18)17-7-5-16-6-8-17;/h9-10,16H,1-8H2;1H.
What are the key properties of piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride?
piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride has a molecular weight of 300.75 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone;hydrochloride is sourced from PubChem (CID 119402656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).