1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride

C11H20ClF3N2O — CID 71782652

IUPAC1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCCCCC(=O)N1CCN(CC(F)(F)F)CC1.Cl
InChIInChI=1S/C11H19F3N2O.ClH/c1-2-3-4-10(17)16-7-5-15(6-8-16)9-11(12,13)14;/h2-9H2,1H3;1H
InChIKeyBNZPIGCCHJGDFA-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.30
Rot. Bonds4

About 1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride

1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride (PubChem CID 71782652) has the molecular formula C11H20ClF3N2O and a molecular weight of 288.74 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride
PubChem CID71782652
Molecular FormulaC11H20ClF3N2O
Molecular Weight288.74 g/mol
Exact Mass288.12
IUPAC Name1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride
SMILESCCCCC(=O)N1CCN(CC(F)(F)F)CC1.Cl
InChIInChI=1S/C11H19F3N2O.ClH/c1-2-3-4-10(17)16-7-5-15(6-8-16)9-11(12,13)14;/h2-9H2,1H3;1H
InChIKeyBNZPIGCCHJGDFA-UHFFFAOYSA-N
XLogP2.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-oxo-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoic acid
CID 43580112
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
4-ethoxy-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]butan-1-one
CID 78879909
3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 71782653
3-amino-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-1-one;dihydrochloride
CID 119844331
1-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-one
CID 113072856
2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61260523
ethane;1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 143483059
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
1-(4-prop-2-enylpiperazin-1-yl)pentan-1-one
CID 6466246
ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
CID 145404569

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride (CID 71782652) is 1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride is CCCCC(=O)N1CCN(CC(F)(F)F)CC1.Cl.
What is the InChIKey of 1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is BNZPIGCCHJGDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O.ClH/c1-2-3-4-10(17)16-7-5-15(6-8-16)9-11(12,13)14;/h2-9H2,1H3;1H.
What are the key properties of 1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride?
1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 288.74 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 71782652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).