1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

C16H26N2O — CID 64932532

IUPAC1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCOc1ccc(N2CC(C)(C)NCC2C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-12(2)15-10-17-16(3,4)11-18(15)13-6-8-14(19-5)9-7-13/h6-9,12,15,17H,10-11H2,1-5H3
InChIKeyZMQYOJXTZFSJMU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.91
Rot. Bonds3

About 1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 64932532) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID64932532
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCOc1ccc(N2CC(C)(C)NCC2C(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-12(2)15-10-17-16(3,4)11-18(15)13-6-8-14(19-5)9-7-13/h6-9,12,15,17H,10-11H2,1-5H3
InChIKeyZMQYOJXTZFSJMU-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 64932532) is 1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine is COc1ccc(N2CC(C)(C)NCC2C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is ZMQYOJXTZFSJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)15-10-17-16(3,4)11-18(15)13-6-8-14(19-5)9-7-13/h6-9,12,15,17H,10-11H2,1-5H3.
What are the key properties of 1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64932532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).