1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine

C17H28N2O2 — CID 2993798

IUPAC1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
SMILESCCCOc1ccc(OCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2O2/c1-3-14-20-16-5-7-17(8-6-16)21-15-4-9-19-12-10-18(2)11-13-19/h5-8H,3-4,9-15H2,1-2H3
InChIKeyFCWZLKIMWJNJGT-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.49
Rot. Bonds8

About 1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine

1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine (PubChem CID 2993798) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
PubChem CID2993798
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
SMILESCCCOc1ccc(OCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2O2/c1-3-14-20-16-5-7-17(8-6-16)21-15-4-9-19-12-10-18(2)11-13-19/h5-8H,3-4,9-15H2,1-2H3
InChIKeyFCWZLKIMWJNJGT-UHFFFAOYSA-N
XLogP2.49
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propoxyaniline
CID 82888943
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine
CID 2993561
1-methyl-4-[(4-pentoxyphenyl)methyl]piperazine
CID 112798089
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine (CID 2993798) is 1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine is CCCOc1ccc(OCCCN2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine?
The InChIKey is FCWZLKIMWJNJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-14-20-16-5-7-17(8-6-16)21-15-4-9-19-12-10-18(2)11-13-19/h5-8H,3-4,9-15H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine?
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine has a molecular weight of 292.42 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine is sourced from PubChem (CID 2993798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).