1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine

C16H26N2O — CID 64846932

IUPAC1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine
SMILESCOCCCN1CC(C)NCC1(C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-14-12-18(10-7-11-19-3)16(2,13-17-14)15-8-5-4-6-9-15/h4-6,8-9,14,17H,7,10-13H2,1-3H3
InChIKeyJXEZAEBWLSZWQH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.23
Rot. Bonds5

About 1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine

1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine (PubChem CID 64846932) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine
PubChem CID64846932
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine
SMILESCOCCCN1CC(C)NCC1(C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-14-12-18(10-7-11-19-3)16(2,13-17-14)15-8-5-4-6-9-15/h4-6,8-9,14,17H,7,10-13H2,1-3H3
InChIKeyJXEZAEBWLSZWQH-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
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-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine?
The IUPAC name of 1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine (CID 64846932) is 1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine.
What is the SMILES notation for 1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine?
The canonical SMILES for 1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine is COCCCN1CC(C)NCC1(C)c1ccccc1.
What is the InChIKey of 1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine?
The InChIKey is JXEZAEBWLSZWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-12-18(10-7-11-19-3)16(2,13-17-14)15-8-5-4-6-9-15/h4-6,8-9,14,17H,7,10-13H2,1-3H3.
What are the key properties of 1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine?
1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2,5-dimethyl-2-phenylpiperazine is sourced from PubChem (CID 64846932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).