1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine

C15H25N3O2 — CID 103036447

IUPAC1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine
SMILESCOC(C)(C)CCOc1cncc(N2CCNCC2)c1
InChIInChI=1S/C15H25N3O2/c1-15(2,19-3)4-9-20-14-10-13(11-17-12-14)18-7-5-16-6-8-18/h10-12,16H,4-9H2,1-3H3
InChIKeySVWWFBLZRYCYBW-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.69
Rot. Bonds6

About 1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine

1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine (PubChem CID 103036447) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine
PubChem CID103036447
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine
SMILESCOC(C)(C)CCOc1cncc(N2CCNCC2)c1
InChIInChI=1S/C15H25N3O2/c1-15(2,19-3)4-9-20-14-10-13(11-17-12-14)18-7-5-16-6-8-18/h10-12,16H,4-9H2,1-3H3
InChIKeySVWWFBLZRYCYBW-UHFFFAOYSA-N
XLogP1.69
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine?
The IUPAC name of 1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine (CID 103036447) is 1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine.
What is the SMILES notation for 1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine?
The canonical SMILES for 1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine is COC(C)(C)CCOc1cncc(N2CCNCC2)c1.
What is the InChIKey of 1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine?
The InChIKey is SVWWFBLZRYCYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,19-3)4-9-20-14-10-13(11-17-12-14)18-7-5-16-6-8-18/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine?
1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine has a molecular weight of 279.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxy-3-methylbutoxy)-3-pyridinyl]piperazine is sourced from PubChem (CID 103036447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).