1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine

C19H30N2O — CID 2994741

IUPAC1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine
SMILESC=CCc1cc(C)c(OCCCN2CCN(C)CC2)c(C)c1
InChIInChI=1S/C19H30N2O/c1-5-7-18-14-16(2)19(17(3)15-18)22-13-6-8-21-11-9-20(4)10-12-21/h5,14-15H,1,6-13H2,2-4H3
InChIKeyNXULWLODKXVHOU-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.05
Rot. Bonds7

About 1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine

1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine (PubChem CID 2994741) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine
PubChem CID2994741
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine
SMILESC=CCc1cc(C)c(OCCCN2CCN(C)CC2)c(C)c1
InChIInChI=1S/C19H30N2O/c1-5-7-18-14-16(2)19(17(3)15-18)22-13-6-8-21-11-9-20(4)10-12-21/h5,14-15H,1,6-13H2,2-4H3
InChIKeyNXULWLODKXVHOU-UHFFFAOYSA-N
XLogP3.05
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine 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

Tesmilifene
CID 108092
Etoloxamine
CID 68950
N-(1-Methylethyl)-3-[(3-Prop-2-En-1-Ylbiphenyl-4-Yl)oxy]propan-1-Amine
CID 10591006
1-[2-(2-Benzyl-phenoxy)-ethyl]-piperidine
CID 44396220
1-(3-(4-(2-Fluoroethyl)phenoxy)propyl)piperidine
CID 44592097
N,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
CID 11978858
4-[3-(2,6-Dimethyl-phenoxy)-propyl]-morpholine
CID 24761453
1-[2-(2,6-Dimethylphenoxy)ethyl]pyrrolidine
CID 868345
4-[3-(4-Methylphenoxy)propyl]morpholine
CID 2202870
Tesmilifene Hydrochloride
CID 175534
4-[2-(2-Benzyl-phenoxy)-ethyl]-morpholine
CID 2993172
1-[3-(2-Benzyl-phenoxy)-propyl]-pyrrolidine
CID 11335419

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine (CID 2994741) is 1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine is C=CCc1cc(C)c(OCCCN2CCN(C)CC2)c(C)c1.
What is the InChIKey of 1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine?
The InChIKey is NXULWLODKXVHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-7-18-14-16(2)19(17(3)15-18)22-13-6-8-21-11-9-20(4)10-12-21/h5,14-15H,1,6-13H2,2-4H3.
What are the key properties of 1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine?
1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine has a molecular weight of 302.46 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethyl-4-prop-2-enylphenoxy)propyl]-4-methylpiperazine is sourced from PubChem (CID 2994741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).