1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine

C18H30N2O — CID 64840083

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCOc1ccc(C)cc1CN1CC(C)(C)NCC1C(C)C
InChIInChI=1S/C18H30N2O/c1-13(2)16-10-19-18(4,5)12-20(16)11-15-9-14(3)7-8-17(15)21-6/h7-9,13,16,19H,10-12H2,1-6H3
InChIKeyXOHJMJKMHRMNGK-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.21
Rot. Bonds4

About 1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine

1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine (PubChem CID 64840083) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
PubChem CID64840083
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
SMILESCOc1ccc(C)cc1CN1CC(C)(C)NCC1C(C)C
InChIInChI=1S/C18H30N2O/c1-13(2)16-10-19-18(4,5)12-20(16)11-15-9-14(3)7-8-17(15)21-6/h7-9,13,16,19H,10-12H2,1-6H3
InChIKeyXOHJMJKMHRMNGK-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(2-methoxy-5-methylphenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64877546
1-[(2,3-dichlorophenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine
CID 107310470
1-(2,4-dimethylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64930665
2-[(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376746
1-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64843482
1-(4-chloro-3-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 107623424
5-[(2-methoxy-5-methylphenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209809
2-[(2-methoxy-5-methylphenyl)methyl]-2-methylazepane
CID 79117786
2-cyclopropyl-1-[(2-methoxy-5-methylphenyl)methyl]-5-methylpiperazine
CID 64846488
1-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64941015
1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64941938
1-(4-methoxyphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64932532

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine (CID 64840083) is 1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine is COc1ccc(C)cc1CN1CC(C)(C)NCC1C(C)C.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine?
The InChIKey is XOHJMJKMHRMNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13(2)16-10-19-18(4,5)12-20(16)11-15-9-14(3)7-8-17(15)21-6/h7-9,13,16,19H,10-12H2,1-6H3.
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine?
1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]-5,5-dimethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64840083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).