(2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol

C8H16FNO — CID 101131416

IUPAC(2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol
SMILESO[C@H](CF)CN1CCCCC1
InChIInChI=1S/C8H16FNO/c9-6-8(11)7-10-4-2-1-3-5-10/h8,11H,1-7H2/t8-/m1/s1
InChIKeyGCQCTUDJPOONEU-MRVPVSSYSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds3

About (2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol

(2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol (PubChem CID 101131416) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol
PubChem CID101131416
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol
SMILESO[C@H](CF)CN1CCCCC1
InChIInChI=1S/C8H16FNO/c9-6-8(11)7-10-4-2-1-3-5-10/h8,11H,1-7H2/t8-/m1/s1
InChIKeyGCQCTUDJPOONEU-MRVPVSSYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Piperidinoethanol
CID 18232
2-Hydroxy-4-azoniaspiro(3,5)nonane chloride
CID 658522
alpha-Methyl-1-piperidineethanol
CID 233605
1-(3,3,3-Trifluoro-2-hydroxypropyl)piperidin-4-ol
CID 3498190
alpha-(Trifluoromethyl)-1-piperidineethanol
CID 566669
1-Butylpiperidin-3-ol
CID 98962
Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, chloride
CID 209565
1-Piperidineethanol, hydrochloride (1:1)
CID 214480
(2S)-1-(piperidin-1-yl)propan-2-ol
CID 735921
4-Azoniaspiro[3.5]nonan-2-ol
CID 658523
(2R)-1-(piperidin-1-yl)propan-2-ol
CID 735922
1-Propyl-3-piperidinol
CID 15105446

Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol (CID 101131416) is (2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol is O[C@H](CF)CN1CCCCC1.
What is the InChIKey of (2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol?
The InChIKey is GCQCTUDJPOONEU-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-6-8(11)7-10-4-2-1-3-5-10/h8,11H,1-7H2/t8-/m1/s1.
What are the key properties of (2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol?
(2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoro-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 101131416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).