1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

C17H28N2O — CID 64941938

IUPAC1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCOc1ccc(N2CC(C)(C)NCC2C(C)C)c(C)c1
InChIInChI=1S/C17H28N2O/c1-12(2)16-10-18-17(4,5)11-19(16)15-8-7-14(20-6)9-13(15)3/h7-9,12,16,18H,10-11H2,1-6H3
InChIKeyCULAXCPVHNLTOC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds3

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

1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 64941938) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID64941938
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCOc1ccc(N2CC(C)(C)NCC2C(C)C)c(C)c1
InChIInChI=1S/C17H28N2O/c1-12(2)16-10-18-17(4,5)11-19(16)15-8-7-14(20-6)9-13(15)3/h7-9,12,16,18H,10-11H2,1-6H3
InChIKeyCULAXCPVHNLTOC-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
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-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 64941938) is 1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine is COc1ccc(N2CC(C)(C)NCC2C(C)C)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is CULAXCPVHNLTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)16-10-18-17(4,5)11-19(16)15-8-7-14(20-6)9-13(15)3/h7-9,12,16,18H,10-11H2,1-6H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64941938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).