3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride

C14H24Cl2F3N5O — CID 120982623

IUPAC3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCN(CCC(=O)N1CCNCC1)Cc1nccn1CC(F)(F)F.Cl.Cl
InChIInChI=1S/C14H22F3N5O.2ClH/c1-20(6-2-13(23)21-7-3-18-4-8-21)10-12-19-5-9-22(12)11-14(15,16)17;;/h5,9,18H,2-4,6-8,10-11H2,1H3;2*1H
InChIKeyNQRQOJUPKPBUNY-UHFFFAOYSA-N
MW406.28 g/mol
LogP1.54
Rot. Bonds6

About 3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride

3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride (PubChem CID 120982623) has the molecular formula C14H24Cl2F3N5O and a molecular weight of 406.28 g/mol. Its IUPAC name is 3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
PubChem CID120982623
Molecular FormulaC14H24Cl2F3N5O
Molecular Weight406.28 g/mol
Exact Mass405.13
IUPAC Name3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCN(CCC(=O)N1CCNCC1)Cc1nccn1CC(F)(F)F.Cl.Cl
InChIInChI=1S/C14H22F3N5O.2ClH/c1-20(6-2-13(23)21-7-3-18-4-8-21)10-12-19-5-9-22(12)11-14(15,16)17;;/h5,9,18H,2-4,6-8,10-11H2,1H3;2*1H
InChIKeyNQRQOJUPKPBUNY-UHFFFAOYSA-N
XLogP1.54
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63013604
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone
CID 56510292
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride
CID 119915287
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
3-[methyl(pyrazin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982556
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63266168
3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 62137503
3-[methyl(1H-pyrazol-5-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982759
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
2-[methyl-[(1-phenylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 120835873
2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915067

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The IUPAC name of 3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride (CID 120982623) is 3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride is CN(CCC(=O)N1CCNCC1)Cc1nccn1CC(F)(F)F.Cl.Cl.
What is the InChIKey of 3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The InChIKey is NQRQOJUPKPBUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O.2ClH/c1-20(6-2-13(23)21-7-3-18-4-8-21)10-12-19-5-9-22(12)11-14(15,16)17;;/h5,9,18H,2-4,6-8,10-11H2,1H3;2*1H.
What are the key properties of 3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride has a molecular weight of 406.28 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 120982623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).