(1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol

C13H20N2O — CID 166682628

IUPAC(1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol
SMILESCc1ccc(N2CCC[C@@H]([C@@H](C)O)C2)cn1
InChIInChI=1S/C13H20N2O/c1-10-5-6-13(8-14-10)15-7-3-4-12(9-15)11(2)16/h5-6,8,11-12,16H,3-4,7,9H2,1-2H3/t11-,12-/m1/s1
InChIKeyYTHKBKZOHKDWHH-VXGBXAGGSA-N
MW220.32 g/mol
LogP1.99
Rot. Bonds2

About (1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol

(1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol (PubChem CID 166682628) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol
PubChem CID166682628
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol
SMILESCc1ccc(N2CCC[C@@H]([C@@H](C)O)C2)cn1
InChIInChI=1S/C13H20N2O/c1-10-5-6-13(8-14-10)15-7-3-4-12(9-15)11(2)16/h5-6,8,11-12,16H,3-4,7,9H2,1-2H3/t11-,12-/m1/s1
InChIKeyYTHKBKZOHKDWHH-VXGBXAGGSA-N
XLogP1.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol?
The IUPAC name of (1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol (CID 166682628) is (1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol?
The canonical SMILES for (1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol is Cc1ccc(N2CCC[C@@H]([C@@H](C)O)C2)cn1.
What is the InChIKey of (1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol?
The InChIKey is YTHKBKZOHKDWHH-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-6-13(8-14-10)15-7-3-4-12(9-15)11(2)16/h5-6,8,11-12,16H,3-4,7,9H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol?
(1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R)-1-(6-methyl-3-pyridinyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 166682628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).