2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol

C12H25NO2 — CID 102967560

IUPAC2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CN1CCCC(OC)C1
InChIInChI=1S/C12H25NO2/c1-4-12(2,10-14)9-13-7-5-6-11(8-13)15-3/h11,14H,4-10H2,1-3H3
InChIKeyQNXUNVSCIKJWFD-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.51
Rot. Bonds5

About 2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol

2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol (PubChem CID 102967560) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol
PubChem CID102967560
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CN1CCCC(OC)C1
InChIInChI=1S/C12H25NO2/c1-4-12(2,10-14)9-13-7-5-6-11(8-13)15-3/h11,14H,4-10H2,1-3H3
InChIKeyQNXUNVSCIKJWFD-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol (CID 102967560) is 2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol is CCC(C)(CO)CN1CCCC(OC)C1.
What is the InChIKey of 2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol?
The InChIKey is QNXUNVSCIKJWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-12(2,10-14)9-13-7-5-6-11(8-13)15-3/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol?
2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypiperidin-1-yl)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 102967560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).