(1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol

C9H19NO2 — CID 129498665

IUPAC(1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
SMILESC[C@H](O)[C@H]1CCCN(CCO)C1
InChIInChI=1S/C9H19NO2/c1-8(12)9-3-2-4-10(7-9)5-6-11/h8-9,11-12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyQLULWGUMFYBUBJ-IUCAKERBSA-N
MW173.26 g/mol
LogP0.07
Rot. Bonds3

About (1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol

(1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol (PubChem CID 129498665) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
PubChem CID129498665
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
SMILESC[C@H](O)[C@H]1CCCN(CCO)C1
InChIInChI=1S/C9H19NO2/c1-8(12)9-3-2-4-10(7-9)5-6-11/h8-9,11-12H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyQLULWGUMFYBUBJ-IUCAKERBSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol?
The IUPAC name of (1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol (CID 129498665) is (1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol?
The canonical SMILES for (1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol is C[C@H](O)[C@H]1CCCN(CCO)C1.
What is the InChIKey of (1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol?
The InChIKey is QLULWGUMFYBUBJ-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(12)9-3-2-4-10(7-9)5-6-11/h8-9,11-12H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of (1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol?
(1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol has a molecular weight of 173.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 129498665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).