1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine

C16H26N2O — CID 59648018

IUPAC1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
SMILESCOc1ccccc1N1CCN(C(C)(C)C)C(C)C1
InChIInChI=1S/C16H26N2O/c1-13-12-17(10-11-18(13)16(2,3)4)14-8-6-7-9-15(14)19-5/h6-9,13H,10-12H2,1-5H3
InChIKeyLUEKGOFMJSVECL-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.00
Rot. Bonds2

About 1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine

1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine (PubChem CID 59648018) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
PubChem CID59648018
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
SMILESCOc1ccccc1N1CCN(C(C)(C)C)C(C)C1
InChIInChI=1S/C16H26N2O/c1-13-12-17(10-11-18(13)16(2,3)4)14-8-6-7-9-15(14)19-5/h6-9,13H,10-12H2,1-5H3
InChIKeyLUEKGOFMJSVECL-UHFFFAOYSA-N
XLogP3.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70788247
(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
CID 159772789
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108959153
5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline
CID 95719113
2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
CID 95721987
4-methoxy-6-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]pyrimidin-2-amine
CID 72871640
4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56897135
1-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 99973399
5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 95715521
N-(2-ethylsulfanylethyl)-4-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 121499519
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-azabicyclo[3.2.2]nonane
CID 57317137

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine?
The IUPAC name of 1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine (CID 59648018) is 1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine.
What is the SMILES notation for 1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine?
The canonical SMILES for 1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine is COc1ccccc1N1CCN(C(C)(C)C)C(C)C1.
What is the InChIKey of 1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine?
The InChIKey is LUEKGOFMJSVECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-12-17(10-11-18(13)16(2,3)4)14-8-6-7-9-15(14)19-5/h6-9,13H,10-12H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine?
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine is sourced from PubChem (CID 59648018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).