1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one

C20H22Cl2N2O — CID 100600205

IUPAC1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one
SMILESO=C(CCc1c(Cl)cccc1Cl)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22Cl2N2O/c21-18-7-4-8-19(22)17(18)9-10-20(25)24-13-11-23(12-14-24)15-16-5-2-1-3-6-16/h1-8H,9-15H2
InChIKeyWFIDAORXNGEZFQ-UHFFFAOYSA-N
MW377.31 g/mol
LogP4.27
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one

1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one (PubChem CID 100600205) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.31 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one
PubChem CID100600205
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.31 g/mol
Exact Mass376.11
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one
SMILESO=C(CCc1c(Cl)cccc1Cl)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22Cl2N2O/c21-18-7-4-8-19(22)17(18)9-10-20(25)24-13-11-23(12-14-24)15-16-5-2-1-3-6-16/h1-8H,9-15H2
InChIKeyWFIDAORXNGEZFQ-UHFFFAOYSA-N
XLogP4.27
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 100601115
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1-(4-benzylpiperazin-1-yl)-3-nitropropan-1-one
CID 56666107
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]benzonitrile
CID 31946879
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 46343141
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-3-oxopropanamide
CID 108949335
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
1-(4-benzylpiperazin-1-yl)-3-[2-(4-chlorophenyl)ethylamino]propan-1-one
CID 109026849

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one (CID 100600205) is 1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one is O=C(CCc1c(Cl)cccc1Cl)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one?
The InChIKey is WFIDAORXNGEZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c21-18-7-4-8-19(22)17(18)9-10-20(25)24-13-11-23(12-14-24)15-16-5-2-1-3-6-16/h1-8H,9-15H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one?
1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one has a molecular weight of 377.31 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one is sourced from PubChem (CID 100600205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).