1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine

C15H32N2O2 — CID 134286103

IUPAC1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine
SMILESCOC(C)(C)CCOC(C)(C)CCN1CCNCC1
InChIInChI=1S/C15H32N2O2/c1-14(2,18-5)7-13-19-15(3,4)6-10-17-11-8-16-9-12-17/h16H,6-13H2,1-5H3
InChIKeyIMMGDFVDRJMWIU-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.89
Rot. Bonds8

About 1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine

1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine (PubChem CID 134286103) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine
PubChem CID134286103
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine
SMILESCOC(C)(C)CCOC(C)(C)CCN1CCNCC1
InChIInChI=1S/C15H32N2O2/c1-14(2,18-5)7-13-19-15(3,4)6-10-17-11-8-16-9-12-17/h16H,6-13H2,1-5H3
InChIKeyIMMGDFVDRJMWIU-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine?
The IUPAC name of 1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine (CID 134286103) is 1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine.
What is the SMILES notation for 1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine?
The canonical SMILES for 1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine is COC(C)(C)CCOC(C)(C)CCN1CCNCC1.
What is the InChIKey of 1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine?
The InChIKey is IMMGDFVDRJMWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-14(2,18-5)7-13-19-15(3,4)6-10-17-11-8-16-9-12-17/h16H,6-13H2,1-5H3.
What are the key properties of 1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine?
1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine has a molecular weight of 272.43 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]piperazine is sourced from PubChem (CID 134286103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).