1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine

C15H24N2O2 — CID 83134815

IUPAC1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine
SMILESCOCCCOc1ccc(N2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-13-12-14(19-11-3-10-18-2)4-5-15(13)17-8-6-16-7-9-17/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyIAYDXVTURHUSNI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.82
Rot. Bonds6

About 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine

1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine (PubChem CID 83134815) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine.

Molecular Properties

Compound Name1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine
PubChem CID83134815
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine
SMILESCOCCCOc1ccc(N2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2O2/c1-13-12-14(19-11-3-10-18-2)4-5-15(13)17-8-6-16-7-9-17/h4-5,12,16H,3,6-11H2,1-2H3
InChIKeyIAYDXVTURHUSNI-UHFFFAOYSA-N
XLogP1.82
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine?
The IUPAC name of 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine (CID 83134815) is 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine.
What is the SMILES notation for 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine?
The canonical SMILES for 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine is COCCCOc1ccc(N2CCNCC2)c(C)c1.
What is the InChIKey of 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine?
The InChIKey is IAYDXVTURHUSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-13-12-14(19-11-3-10-18-2)4-5-15(13)17-8-6-16-7-9-17/h4-5,12,16H,3,6-11H2,1-2H3.
What are the key properties of 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine?
1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine has a molecular weight of 264.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine is sourced from PubChem (CID 83134815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).