1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one

C21H26N2O2 — CID 17200498

IUPAC1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-17-8-10-20(11-9-17)25-18(2)21(24)23-14-12-22(13-15-23)16-19-6-4-3-5-7-19/h3-11,18H,12-16H2,1-2H3
InChIKeyUOSKCWOBFONTAO-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.11
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one

1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one (PubChem CID 17200498) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
PubChem CID17200498
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O2/c1-17-8-10-20(11-9-17)25-18(2)21(24)23-14-12-22(13-15-23)16-19-6-4-3-5-7-19/h3-11,18H,12-16H2,1-2H3
InChIKeyUOSKCWOBFONTAO-UHFFFAOYSA-N
XLogP3.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)butan-1-one
CID 21472286
2-(4-phenylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 55606778
(2S)-1-(4-benzylpiperazin-1-yl)-2-(2-methoxy-4-methylphenoxy)propan-1-one
CID 7694660
1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 18112386
7-[(2R)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7610793
(2R)-1-(4-benzylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 92679201
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
2-[4-[2-(4-methylphenoxy)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78803715
2-(4-phenylphenoxy)-1-[4-[2-(4-phenylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981282
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 4833570
1-(4-benzylpiperazin-1-yl)-2-(4-ethylphenoxy)butan-1-one
CID 132654804
1-(4-benzylpiperazin-1-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxypropan-1-one
CID 4784521

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one (CID 17200498) is 1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one is Cc1ccc(OC(C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one?
The InChIKey is UOSKCWOBFONTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17-8-10-20(11-9-17)25-18(2)21(24)23-14-12-22(13-15-23)16-19-6-4-3-5-7-19/h3-11,18H,12-16H2,1-2H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one?
1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one has a molecular weight of 338.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one is sourced from PubChem (CID 17200498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).