3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride

C20H32Cl2F2N4O — CID 120982891

IUPAC3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCCC(c1ccc(F)cc1F)N1CCN(CCC(=O)N2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C20H30F2N4O.2ClH/c1-2-19(17-4-3-16(21)15-18(17)22)25-13-11-24(12-14-25)8-5-20(27)26-9-6-23-7-10-26;;/h3-4,15,19,23H,2,5-14H2,1H3;2*1H
InChIKeyPKGDBMNTTYMJTD-UHFFFAOYSA-N
MW453.41 g/mol
LogP2.70
Rot. Bonds6

About 3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride

3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride (PubChem CID 120982891) has the molecular formula C20H32Cl2F2N4O and a molecular weight of 453.41 g/mol. Its IUPAC name is 3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
PubChem CID120982891
Molecular FormulaC20H32Cl2F2N4O
Molecular Weight453.41 g/mol
Exact Mass452.19
IUPAC Name3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCCC(c1ccc(F)cc1F)N1CCN(CCC(=O)N2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C20H30F2N4O.2ClH/c1-2-19(17-4-3-16(21)15-18(17)22)25-13-11-24(12-14-25)8-5-20(27)26-9-6-23-7-10-26;;/h3-4,15,19,23H,2,5-14H2,1H3;2*1H
InChIKeyPKGDBMNTTYMJTD-UHFFFAOYSA-N
XLogP2.70
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride with MolForge

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Related Compounds

3-amino-1-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119894411
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CID 120647394
1-[(1S)-1-(2,5-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171277042
3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980718
3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982448
1-[(1S)-1-(2,4-difluorophenyl)-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171273180
1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;hydrochloride
CID 171163026
1-[(1S)-1-(2,4-difluorophenyl)hexyl]piperazine;dihydrochloride
CID 171308638
3-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982893
1-[1-(2,4-difluorophenyl)propyl]-4-[2-(1,2,4-triazol-1-yl)ethyl]piperazine
CID 71988927
[4-[(1R)-1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 124608051
(3-aminophenyl)-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]methanone;dihydrochloride
CID 119894401

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The IUPAC name of 3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride (CID 120982891) is 3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride is CCC(c1ccc(F)cc1F)N1CCN(CCC(=O)N2CCNCC2)CC1.Cl.Cl.
What is the InChIKey of 3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The InChIKey is PKGDBMNTTYMJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2N4O.2ClH/c1-2-19(17-4-3-16(21)15-18(17)22)25-13-11-24(12-14-25)8-5-20(27)26-9-6-23-7-10-26;;/h3-4,15,19,23H,2,5-14H2,1H3;2*1H.
What are the key properties of 3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride?
3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride has a molecular weight of 453.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 120982891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).