1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one

C17H26N2O — CID 113075585

IUPAC1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C17H26N2O/c1-4-5-6-17(20)19-9-7-18(8-10-19)16-12-14(2)11-15(3)13-16/h11-13H,4-10H2,1-3H3
InChIKeyYECVLYXVHMFVJE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.14
Rot. Bonds4

About 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one

1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one (PubChem CID 113075585) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one
PubChem CID113075585
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C17H26N2O/c1-4-5-6-17(20)19-9-7-18(8-10-19)16-12-14(2)11-15(3)13-16/h11-13H,4-10H2,1-3H3
InChIKeyYECVLYXVHMFVJE-UHFFFAOYSA-N
XLogP3.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3,5-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 113080325
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 17217206
1-(4-phenyl-1,4-diazepan-1-yl)pentan-1-one
CID 110873769
ethyl 4-(4-pentanoylpiperazin-1-yl)benzoate
CID 110672913
1-[4-(2-bromo-4-methylphenyl)piperazin-1-yl]pentan-1-one
CID 113079460
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one
CID 113078817
3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029274
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817632
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one (CID 113075585) is 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one?
The InChIKey is YECVLYXVHMFVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-5-6-17(20)19-9-7-18(8-10-19)16-12-14(2)11-15(3)13-16/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one?
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one has a molecular weight of 274.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 113075585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).