(3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol

C10H16N2O — CID 86340887

IUPAC(3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol
SMILESO[C@H]1CCCN(C2C=CC=CN2)C1
InChIInChI=1S/C10H16N2O/c13-9-4-3-7-12(8-9)10-5-1-2-6-11-10/h1-2,5-6,9-11,13H,3-4,7-8H2/t9-,10?/m0/s1
InChIKeyNYZPJAUMTYBMDJ-RGURZIINSA-N
MW180.25 g/mol
LogP0.44
Rot. Bonds1

About (3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol

(3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol (PubChem CID 86340887) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol
PubChem CID86340887
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol
SMILESO[C@H]1CCCN(C2C=CC=CN2)C1
InChIInChI=1S/C10H16N2O/c13-9-4-3-7-12(8-9)10-5-1-2-6-11-10/h1-2,5-6,9-11,13H,3-4,7-8H2/t9-,10?/m0/s1
InChIKeyNYZPJAUMTYBMDJ-RGURZIINSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol (CID 86340887) is (3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol is O[C@H]1CCCN(C2C=CC=CN2)C1.
What is the InChIKey of (3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol?
The InChIKey is NYZPJAUMTYBMDJ-RGURZIINSA-N. The full InChI is InChI=1S/C10H16N2O/c13-9-4-3-7-12(8-9)10-5-1-2-6-11-10/h1-2,5-6,9-11,13H,3-4,7-8H2/t9-,10?/m0/s1.
What are the key properties of (3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol?
(3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol has a molecular weight of 180.25 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,2-dihydropyridin-2-yl)piperidin-3-ol is sourced from PubChem (CID 86340887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).