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

C18H30N2O — CID 65443258

IUPAC1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine
SMILESCOc1ccc(CCN2CC(C(C)C)NCC2(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-14(2)17-12-20(18(3,4)13-19-17)11-10-15-6-8-16(21-5)9-7-15/h6-9,14,17,19H,10-13H2,1-5H3
InChIKeyCYPLYBIGVVXDLA-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.95
Rot. Bonds5

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

1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine (PubChem CID 65443258) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine
PubChem CID65443258
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine
SMILESCOc1ccc(CCN2CC(C(C)C)NCC2(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-14(2)17-12-20(18(3,4)13-19-17)11-10-15-6-8-16(21-5)9-7-15/h6-9,14,17,19H,10-13H2,1-5H3
InChIKeyCYPLYBIGVVXDLA-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
CID 64838670
1-[(3,4-dimethylphenyl)methyl]-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839645
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218
1-decyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 64839450
2-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5,5-trimethylpiperazine
CID 65443657
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
2-cyclopropyl-2-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016338
1-[2-(4-methoxyphenyl)ethyl]azetidin-3-ol
CID 63282641
8-[2-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63768377
1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-4-amine
CID 120775320
2-ethyl-1-(4-methoxyphenyl)-5-propan-2-ylpiperazine
CID 64954255
1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane
CID 141180338

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine (CID 65443258) is 1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine is COc1ccc(CCN2CC(C(C)C)NCC2(C)C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine?
The InChIKey is CYPLYBIGVVXDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)17-12-20(18(3,4)13-19-17)11-10-15-6-8-16(21-5)9-7-15/h6-9,14,17,19H,10-13H2,1-5H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine?
1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-2,2-dimethyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 65443258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).