(1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol

C13H20N2O2 — CID 83131766

IUPAC(1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol
SMILESCOC1CCN(c2ccc([C@H](C)O)nc2)CC1
InChIInChI=1S/C13H20N2O2/c1-10(16)13-4-3-11(9-14-13)15-7-5-12(17-2)6-8-15/h3-4,9-10,12,16H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyPOEMQEHDFILRQL-JTQLQIEISA-N
MW236.31 g/mol
LogP1.75
Rot. Bonds3

About (1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol

(1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol (PubChem CID 83131766) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol
PubChem CID83131766
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol
SMILESCOC1CCN(c2ccc([C@H](C)O)nc2)CC1
InChIInChI=1S/C13H20N2O2/c1-10(16)13-4-3-11(9-14-13)15-7-5-12(17-2)6-8-15/h3-4,9-10,12,16H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyPOEMQEHDFILRQL-JTQLQIEISA-N
XLogP1.75
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol (CID 83131766) is (1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol is COC1CCN(c2ccc([C@H](C)O)nc2)CC1.
What is the InChIKey of (1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol?
The InChIKey is POEMQEHDFILRQL-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(16)13-4-3-11(9-14-13)15-7-5-12(17-2)6-8-15/h3-4,9-10,12,16H,5-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol?
(1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethanol is sourced from PubChem (CID 83131766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).