1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine

C20H26N2O — CID 3057396

IUPAC1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine
SMILESCc1ccccc1N1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C20H26N2O/c1-18-8-5-6-11-20(18)22-15-13-21(14-16-22)12-7-17-23-19-9-3-2-4-10-19/h2-6,8-11H,7,12-17H2,1H3
InChIKeyFIVULIJQBBGFFF-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.59
Rot. Bonds6

About 1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine

1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine (PubChem CID 3057396) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine
PubChem CID3057396
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine
SMILESCc1ccccc1N1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C20H26N2O/c1-18-8-5-6-11-20(18)22-15-13-21(14-16-22)12-7-17-23-19-9-3-2-4-10-19/h2-6,8-11H,7,12-17H2,1H3
InChIKeyFIVULIJQBBGFFF-UHFFFAOYSA-N
XLogP3.59
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine?
The IUPAC name of 1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine (CID 3057396) is 1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine.
What is the SMILES notation for 1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine?
The canonical SMILES for 1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine is Cc1ccccc1N1CCN(CCCOc2ccccc2)CC1.
What is the InChIKey of 1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine?
The InChIKey is FIVULIJQBBGFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-18-8-5-6-11-20(18)22-15-13-21(14-16-22)12-7-17-23-19-9-3-2-4-10-19/h2-6,8-11H,7,12-17H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine?
1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine has a molecular weight of 310.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-(3-phenoxypropyl)piperazine is sourced from PubChem (CID 3057396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).