2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol

C15H24N2O2 — CID 134555241

IUPAC2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol
SMILESCC(C)c1ccc(O[C@H]2CCCN(CCO)C2)cn1
InChIInChI=1S/C15H24N2O2/c1-12(2)15-6-5-13(10-16-15)19-14-4-3-7-17(11-14)8-9-18/h5-6,10,12,14,18H,3-4,7-9,11H2,1-2H3/t14-/m0/s1
InChIKeyIWECJWRVWXXVCY-AWEZNQCLSA-N
MW264.37 g/mol
LogP2.04
Rot. Bonds5

About 2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol

2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol (PubChem CID 134555241) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol
PubChem CID134555241
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol
SMILESCC(C)c1ccc(O[C@H]2CCCN(CCO)C2)cn1
InChIInChI=1S/C15H24N2O2/c1-12(2)15-6-5-13(10-16-15)19-14-4-3-7-17(11-14)8-9-18/h5-6,10,12,14,18H,3-4,7-9,11H2,1-2H3/t14-/m0/s1
InChIKeyIWECJWRVWXXVCY-AWEZNQCLSA-N
XLogP2.04
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol?
The IUPAC name of 2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol (CID 134555241) is 2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol is CC(C)c1ccc(O[C@H]2CCCN(CCO)C2)cn1.
What is the InChIKey of 2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol?
The InChIKey is IWECJWRVWXXVCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)15-6-5-13(10-16-15)19-14-4-3-7-17(11-14)8-9-18/h5-6,10,12,14,18H,3-4,7-9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol?
2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol has a molecular weight of 264.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]piperidin-1-yl]ethanol is sourced from PubChem (CID 134555241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).