1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine

C17H26N2O2 — CID 146681529

IUPAC1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine
SMILESC=CCc1cccc(OC)c1OCCCN1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-3-6-15-7-4-8-16(20-2)17(15)21-14-5-11-19-12-9-18-10-13-19/h3-4,7-8,18H,1,5-6,9-14H2,2H3
InChIKeyAUWIYSLGDQLCFY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.10
Rot. Bonds8

About 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine

1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine (PubChem CID 146681529) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine.

Molecular Properties

Compound Name1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine
PubChem CID146681529
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine
SMILESC=CCc1cccc(OC)c1OCCCN1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-3-6-15-7-4-8-16(20-2)17(15)21-14-5-11-19-12-9-18-10-13-19/h3-4,7-8,18H,1,5-6,9-14H2,2H3
InChIKeyAUWIYSLGDQLCFY-UHFFFAOYSA-N
XLogP2.10
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine 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

2-butoxy-1-methoxy-3-prop-2-enylbenzene
CID 24770490
1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid
CID 2944629
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351
2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium
CID 2300047
1-[2-[3-(2-methoxyphenoxy)propoxy]ethyl]piperazine
CID 82353822
3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856112
1-methyl-4-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]piperazine;oxalic acid
CID 16614206
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[3-(2,3,4-trimethoxyphenyl)propyl]piperazine
CID 83934072
1-[3-(2-fluoro-6-methoxyphenoxy)propyl]pyrrolidine
CID 135155342
4-methyl-1-[4-(2-prop-2-enylphenoxy)butyl]piperidine
CID 2298260
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 54983695

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine?
The IUPAC name of 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine (CID 146681529) is 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine.
What is the SMILES notation for 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine?
The canonical SMILES for 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine is C=CCc1cccc(OC)c1OCCCN1CCNCC1.
What is the InChIKey of 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine?
The InChIKey is AUWIYSLGDQLCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-6-15-7-4-8-16(20-2)17(15)21-14-5-11-19-12-9-18-10-13-19/h3-4,7-8,18H,1,5-6,9-14H2,2H3.
What are the key properties of 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine?
1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine has a molecular weight of 290.41 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine is sourced from PubChem (CID 146681529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).