1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine

C18H30N2O — CID 104650316

IUPAC1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine
SMILESCOCCCCN1CC(C)(c2ccccc2)NCC1(C)C
InChIInChI=1S/C18H30N2O/c1-17(2)14-19-18(3,16-10-6-5-7-11-16)15-20(17)12-8-9-13-21-4/h5-7,10-11,19H,8-9,12-15H2,1-4H3
InChIKeyDPQKKGDHCRLLFO-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.01
Rot. Bonds6

About 1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine

1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine (PubChem CID 104650316) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine
PubChem CID104650316
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine
SMILESCOCCCCN1CC(C)(c2ccccc2)NCC1(C)C
InChIInChI=1S/C18H30N2O/c1-17(2)14-19-18(3,16-10-6-5-7-11-16)15-20(17)12-8-9-13-21-4/h5-7,10-11,19H,8-9,12-15H2,1-4H3
InChIKeyDPQKKGDHCRLLFO-UHFFFAOYSA-N
XLogP3.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.01
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-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine?
The IUPAC name of 1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine (CID 104650316) is 1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine.
What is the SMILES notation for 1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine?
The canonical SMILES for 1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine is COCCCCN1CC(C)(c2ccccc2)NCC1(C)C.
What is the InChIKey of 1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine?
The InChIKey is DPQKKGDHCRLLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-17(2)14-19-18(3,16-10-6-5-7-11-16)15-20(17)12-8-9-13-21-4/h5-7,10-11,19H,8-9,12-15H2,1-4H3.
What are the key properties of 1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine?
1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine is sourced from PubChem (CID 104650316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).