4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one

C19H30N2O2 — CID 83932566

IUPAC4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
SMILESCCCCCOc1ccc(CCCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-2-3-4-16-23-18-10-8-17(9-11-18)6-5-7-19(22)21-14-12-20-13-15-21/h8-11,20H,2-7,12-16H2,1H3
InChIKeyNPVLHQZXMRVQFM-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.01
Rot. Bonds9

About 4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one

4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one (PubChem CID 83932566) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
PubChem CID83932566
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one
SMILESCCCCCOc1ccc(CCCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-2-3-4-16-23-18-10-8-17(9-11-18)6-5-7-19(22)21-14-12-20-13-15-21/h8-11,20H,2-7,12-16H2,1H3
InChIKeyNPVLHQZXMRVQFM-UHFFFAOYSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284266
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
4-(4-methoxyphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39284680
1-piperazin-1-yl-4-(4-propylsulfanylphenyl)butan-1-one
CID 83935718
4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 82086276
2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119403589
4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779310
4-(4-oxo-4-piperazin-1-ylbutyl)benzonitrile
CID 83927436
4-(4-pentoxyphenyl)butan-2-one
CID 19885189
1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one
CID 19191324
3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83954594
6-(4-butylphenoxy)hexan-2-one
CID 115492852

Frequently Asked Questions

What is the IUPAC name of 4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The IUPAC name of 4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one (CID 83932566) is 4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The canonical SMILES for 4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one is CCCCCOc1ccc(CCCC(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one?
The InChIKey is NPVLHQZXMRVQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-2-3-4-16-23-18-10-8-17(9-11-18)6-5-7-19(22)21-14-12-20-13-15-21/h8-11,20H,2-7,12-16H2,1H3.
What are the key properties of 4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one?
4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one has a molecular weight of 318.46 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pentoxyphenyl)-1-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 83932566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).