3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride

C18H30Cl2N4O — CID 120982250

IUPAC3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCN(Cc2ccccc2)CC1)N1CCNCC1
InChIInChI=1S/C18H28N4O.2ClH/c23-18(22-10-7-19-8-11-22)6-9-20-12-14-21(15-13-20)16-17-4-2-1-3-5-17;;/h1-5,19H,6-16H2;2*1H
InChIKeyKDJWCUCSNGIBLI-UHFFFAOYSA-N
MW389.37 g/mol
LogP1.47
Rot. Bonds5

About 3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride

3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride (PubChem CID 120982250) has the molecular formula C18H30Cl2N4O and a molecular weight of 389.37 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
PubChem CID120982250
Molecular FormulaC18H30Cl2N4O
Molecular Weight389.37 g/mol
Exact Mass388.18
IUPAC Name3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCN(Cc2ccccc2)CC1)N1CCNCC1
InChIInChI=1S/C18H28N4O.2ClH/c23-18(22-10-7-19-8-11-22)6-9-20-12-14-21(15-13-20)16-17-4-2-1-3-5-17;;/h1-5,19H,6-16H2;2*1H
InChIKeyKDJWCUCSNGIBLI-UHFFFAOYSA-N
XLogP1.47
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982286
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352
1-[4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 120981256
2-(4-benzylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone;dihydrochloride
CID 119414859
1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 46343141
1-(1,4-diazepan-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 119418032
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982698
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155565209
3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 120981580
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride (CID 120982250) is 3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride is Cl.Cl.O=C(CCN1CCN(Cc2ccccc2)CC1)N1CCNCC1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride?
The InChIKey is KDJWCUCSNGIBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O.2ClH/c23-18(22-10-7-19-8-11-22)6-9-20-12-14-21(15-13-20)16-17-4-2-1-3-5-17;;/h1-5,19H,6-16H2;2*1H.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride?
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride has a molecular weight of 389.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 120982250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).