[(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol

C11H23NO2 — CID 156651627

IUPAC[(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol
SMILESCCCCN1C[C@H](OC)CC[C@@H]1CO
InChIInChI=1S/C11H23NO2/c1-3-4-7-12-8-11(14-2)6-5-10(12)9-13/h10-11,13H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyACLLDRYEMANBDF-GHMZBOCLSA-N
MW201.31 g/mol
LogP1.26
Rot. Bonds5

About [(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol

[(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol (PubChem CID 156651627) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is [(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol
PubChem CID156651627
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name[(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol
SMILESCCCCN1C[C@H](OC)CC[C@@H]1CO
InChIInChI=1S/C11H23NO2/c1-3-4-7-12-8-11(14-2)6-5-10(12)9-13/h10-11,13H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyACLLDRYEMANBDF-GHMZBOCLSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol?
The IUPAC name of [(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol (CID 156651627) is [(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol.
What is the SMILES notation for [(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol?
The canonical SMILES for [(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol is CCCCN1C[C@H](OC)CC[C@@H]1CO.
What is the InChIKey of [(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol?
The InChIKey is ACLLDRYEMANBDF-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-4-7-12-8-11(14-2)6-5-10(12)9-13/h10-11,13H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of [(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol?
[(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol has a molecular weight of 201.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-1-butyl-5-methoxypiperidin-2-yl]methanol is sourced from PubChem (CID 156651627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).