1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

C17H28N2O — CID 64946280

IUPAC1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCOc1ccc(N2CC(C)(C)NCC2C(C)C)cc1C
InChIInChI=1S/C17H28N2O/c1-12(2)15-10-18-17(4,5)11-19(15)14-7-8-16(20-6)13(3)9-14/h7-9,12,15,18H,10-11H2,1-6H3
InChIKeyOUQMPGUGNAKABZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds3

About 1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine

1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 64946280) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID64946280
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCOc1ccc(N2CC(C)(C)NCC2C(C)C)cc1C
InChIInChI=1S/C17H28N2O/c1-12(2)15-10-18-17(4,5)11-19(15)14-7-8-16(20-6)13(3)9-14/h7-9,12,15,18H,10-11H2,1-6H3
InChIKeyOUQMPGUGNAKABZ-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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Related Compounds

1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 107623424
1-(4-bromo-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64935073
1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64932532
1-(3,4-dichlorophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64935824
5,5-dimethyl-1-naphthalen-2-yl-2-propan-2-ylpiperazine
CID 64945583
1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64941938
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64930805
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64933858
9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64931469
1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64930665
1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64840083
5,5-dimethyl-2-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
CID 82794702

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine (CID 64946280) is 1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine is COc1ccc(N2CC(C)(C)NCC2C(C)C)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is OUQMPGUGNAKABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)15-10-18-17(4,5)11-19(15)14-7-8-16(20-6)13(3)9-14/h7-9,12,15,18H,10-11H2,1-6H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine?
1-(4-methoxy-3-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-3-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64946280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).