1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine

C18H28N2O2 — CID 2993561

IUPAC1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine
SMILESC=CCOc1ccc(OCCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-3-15-21-17-6-8-18(9-7-17)22-16-5-4-10-20-13-11-19(2)12-14-20/h3,6-9H,1,4-5,10-16H2,2H3
InChIKeyOJKRNTGIGPWJDP-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.66
Rot. Bonds9

About 1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine

1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine (PubChem CID 2993561) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine
PubChem CID2993561
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine
SMILESC=CCOc1ccc(OCCCCN2CCN(C)CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-3-15-21-17-6-8-18(9-7-17)22-16-5-4-10-20-13-11-19(2)12-14-20/h3,6-9H,1,4-5,10-16H2,2H3
InChIKeyOJKRNTGIGPWJDP-UHFFFAOYSA-N
XLogP2.66
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[2-(4-prop-2-enoxyphenoxy)ethyl]piperazine;hydrochloride
CID 6457262
1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine
CID 2267460
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 2995586
1-[3-(4-hexadecoxyphenyl)propyl]-4-methylpiperazine
CID 170862537
4-[4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]butan-2-one;hydrochloride
CID 2993897
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
1-methyl-4-[3-(2-prop-2-enoxyphenyl)propyl]piperazine
CID 170862374
1-[2-(4-iodophenoxy)ethyl]-4-methylpiperazine
CID 15616300

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine?
The IUPAC name of 1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine (CID 2993561) is 1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine is C=CCOc1ccc(OCCCCN2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine?
The InChIKey is OJKRNTGIGPWJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-15-21-17-6-8-18(9-7-17)22-16-5-4-10-20-13-11-19(2)12-14-20/h3,6-9H,1,4-5,10-16H2,2H3.
What are the key properties of 1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine?
1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine has a molecular weight of 304.43 g/mol, XLogP of 2.66, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(4-prop-2-enoxyphenoxy)butyl]piperazine is sourced from PubChem (CID 2993561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).