1-methyl-4-(3-phenoxypropyl)piperazine

C14H22N2O — CID 12730764

IUPAC1-methyl-4-(3-phenoxypropyl)piperazine
SMILESCN1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C14H22N2O/c1-15-9-11-16(12-10-15)8-5-13-17-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3
InChIKeyGQQSQIJENQRBBW-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.70
Rot. Bonds5

About 1-methyl-4-(3-phenoxypropyl)piperazine

1-methyl-4-(3-phenoxypropyl)piperazine (PubChem CID 12730764) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-methyl-4-(3-phenoxypropyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-phenoxypropyl)piperazine
PubChem CID12730764
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-methyl-4-(3-phenoxypropyl)piperazine
SMILESCN1CCN(CCCOc2ccccc2)CC1
InChIInChI=1S/C14H22N2O/c1-15-9-11-16(12-10-15)8-5-13-17-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3
InChIKeyGQQSQIJENQRBBW-UHFFFAOYSA-N
XLogP1.70
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.70
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-methyl-4-(3-phenoxypropyl)piperazine?
The IUPAC name of 1-methyl-4-(3-phenoxypropyl)piperazine (CID 12730764) is 1-methyl-4-(3-phenoxypropyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-phenoxypropyl)piperazine?
The canonical SMILES for 1-methyl-4-(3-phenoxypropyl)piperazine is CN1CCN(CCCOc2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-(3-phenoxypropyl)piperazine?
The InChIKey is GQQSQIJENQRBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-9-11-16(12-10-15)8-5-13-17-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3.
What are the key properties of 1-methyl-4-(3-phenoxypropyl)piperazine?
1-methyl-4-(3-phenoxypropyl)piperazine has a molecular weight of 234.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-phenoxypropyl)piperazine is sourced from PubChem (CID 12730764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).