5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one

C22H28N2O — CID 59229808

IUPAC5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
SMILESO=C(CCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O/c25-22(21-11-5-2-6-12-21)13-7-8-14-23-15-17-24(18-16-23)19-20-9-3-1-4-10-20/h1-6,9-12H,7-8,13-19H2
InChIKeyOPHMBNKXNPZFBS-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.86
Rot. Bonds8

About 5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one

5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one (PubChem CID 59229808) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
PubChem CID59229808
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
SMILESO=C(CCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O/c25-22(21-11-5-2-6-12-21)13-7-8-14-23-15-17-24(18-16-23)19-20-9-3-1-4-10-20/h1-6,9-12H,7-8,13-19H2
InChIKeyOPHMBNKXNPZFBS-UHFFFAOYSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 10294335
5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 76905955
3-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)propan-1-one;dihydrochloride
CID 10159552
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275
2-(4-benzylpiperazin-1-yl)ethyl benzoate
CID 24842101
1-benzyl-4-heptylpiperazine
CID 22088087
1,15-diphenylpentadecane-1,15-dione
CID 159981687
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900
1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one
CID 69351372
1-(1-adamantyl)-6-(4-benzylpiperazin-1-yl)hexan-1-one
CID 159570158
3-[[3-(4-benzylpiperazin-1-yl)propylamino]methyl]benzoic acid
CID 122030247

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one (CID 59229808) is 5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one is O=C(CCCCN1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one?
The InChIKey is OPHMBNKXNPZFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c25-22(21-11-5-2-6-12-21)13-7-8-14-23-15-17-24(18-16-23)19-20-9-3-1-4-10-20/h1-6,9-12H,7-8,13-19H2.
What are the key properties of 5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one?
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one has a molecular weight of 336.48 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one is sourced from PubChem (CID 59229808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).