(3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride

C14H24ClF3N2O — CID 119564483

IUPAC(3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
SMILESCC1CN(C(=O)C2CCCC(C(F)(F)F)C2)CC(C)N1.Cl
InChIInChI=1S/C14H23F3N2O.ClH/c1-9-7-19(8-10(2)18-9)13(20)11-4-3-5-12(6-11)14(15,16)17;/h9-12,18H,3-8H2,1-2H3;1H
InChIKeyUQVAIUWRAQUESH-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.99
Rot. Bonds1

About (3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride

(3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride (PubChem CID 119564483) has the molecular formula C14H24ClF3N2O and a molecular weight of 328.81 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
PubChem CID119564483
Molecular FormulaC14H24ClF3N2O
Molecular Weight328.81 g/mol
Exact Mass328.15
IUPAC Name(3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
SMILESCC1CN(C(=O)C2CCCC(C(F)(F)F)C2)CC(C)N1.Cl
InChIInChI=1S/C14H23F3N2O.ClH/c1-9-7-19(8-10(2)18-9)13(20)11-4-3-5-12(6-11)14(15,16)17;/h9-12,18H,3-8H2,1-2H3;1H
InChIKeyUQVAIUWRAQUESH-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 124504890
(4-tert-butylazepan-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 102557378
[3-(1-aminoethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 115969513
[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 71881171
[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
CID 97023778
[3-(2-chloroethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 114801187
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 120747378
(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 95287909
trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124513759
[4-(cyclopropylmethylamino)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119623679
cis-(1S,3R)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 130860648
cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 90020228

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride (CID 119564483) is (3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride is CC1CN(C(=O)C2CCCC(C(F)(F)F)C2)CC(C)N1.Cl.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride?
The InChIKey is UQVAIUWRAQUESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O.ClH/c1-9-7-19(8-10(2)18-9)13(20)11-4-3-5-12(6-11)14(15,16)17;/h9-12,18H,3-8H2,1-2H3;1H.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride?
(3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride has a molecular weight of 328.81 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride is sourced from PubChem (CID 119564483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).