4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one

C15H22N2O2 — CID 8548656

IUPAC4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one
SMILESCc1ccc(C)c(OCCCN2CCNC(=O)C2)c1
InChIInChI=1S/C15H22N2O2/c1-12-4-5-13(2)14(10-12)19-9-3-7-17-8-6-16-15(18)11-17/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,18)
InChIKeyNCMVQBJSQYLTCW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.50
Rot. Bonds5

About 4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one

4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one (PubChem CID 8548656) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one
PubChem CID8548656
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one
SMILESCc1ccc(C)c(OCCCN2CCNC(=O)C2)c1
InChIInChI=1S/C15H22N2O2/c1-12-4-5-13(2)14(10-12)19-9-3-7-17-8-6-16-15(18)11-17/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,18)
InChIKeyNCMVQBJSQYLTCW-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.50
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

1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8549384
4-[3-(4-aminophenoxy)propyl]piperazin-2-one
CID 43365531
1-[3-(2,5-dimethylphenoxy)propyl]azetidin-3-amine
CID 65250062
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazine
CID 3398296
4-[3-(3-chlorophenoxy)propyl]piperazin-2-one
CID 47454012
4-[2-(2,5-dimethylphenoxy)acetyl]-1,4-diazepan-2-one
CID 62896074
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine
CID 81491707
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
(2R)-1-[2-(2,5-dimethylphenoxy)ethyl]-2-methylpiperazine
CID 82713741
1-[3-(2,5-dimethylphenoxy)propyl]piperidine-3-carbaldehyde
CID 62654942

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one?
The IUPAC name of 4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one (CID 8548656) is 4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one.
What is the SMILES notation for 4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one?
The canonical SMILES for 4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one is Cc1ccc(C)c(OCCCN2CCNC(=O)C2)c1.
What is the InChIKey of 4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one?
The InChIKey is NCMVQBJSQYLTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-4-5-13(2)14(10-12)19-9-3-7-17-8-6-16-15(18)11-17/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,18).
What are the key properties of 4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one?
4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dimethylphenoxy)propyl]piperazin-2-one is sourced from PubChem (CID 8548656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).