3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine

C17H28N2O — CID 106261625

IUPAC3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccccc1CCN1CCNC(C(C)(C)C)C1
InChIInChI=1S/C17H28N2O/c1-17(2,3)16-13-19(12-10-18-16)11-9-14-7-5-6-8-15(14)20-4/h5-8,16,18H,9-13H2,1-4H3
InChIKeyHJAMECRIWGTVND-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.56
Rot. Bonds4

About 3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine

3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine (PubChem CID 106261625) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine
PubChem CID106261625
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine
SMILESCOc1ccccc1CCN1CCNC(C(C)(C)C)C1
InChIInChI=1S/C17H28N2O/c1-17(2,3)16-13-19(12-10-18-16)11-9-14-7-5-6-8-15(14)20-4/h5-8,16,18H,9-13H2,1-4H3
InChIKeyHJAMECRIWGTVND-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,5-diazocane
CID 106261953
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-amine
CID 82159159
3-tert-butyl-1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 64832825
2-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]ethanol
CID 94276618
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-one
CID 83824146
3-tert-butyl-1-(2,2-difluoro-2-phenylethyl)piperazine
CID 116790757
2-(2-methoxyphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238770
4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione
CID 82118888
3-methyl-1-[2-(2-methylphenyl)ethyl]piperazine
CID 79755831

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine?
The IUPAC name of 3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine (CID 106261625) is 3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine.
What is the SMILES notation for 3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine?
The canonical SMILES for 3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine is COc1ccccc1CCN1CCNC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine?
The InChIKey is HJAMECRIWGTVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)16-13-19(12-10-18-16)11-9-14-7-5-6-8-15(14)20-4/h5-8,16,18H,9-13H2,1-4H3.
What are the key properties of 3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine?
3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine has a molecular weight of 276.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[2-(2-methoxyphenyl)ethyl]piperazine is sourced from PubChem (CID 106261625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).