(2S,3S)-3-piperidin-1-yloxan-2-ol

C10H19NO2 — CID 21150559

IUPAC(2S,3S)-3-piperidin-1-yloxan-2-ol
SMILESO[C@H]1OCCC[C@@H]1N1CCCCC1
InChIInChI=1S/C10H19NO2/c12-10-9(5-4-8-13-10)11-6-2-1-3-7-11/h9-10,12H,1-8H2/t9-,10-/m0/s1
InChIKeyTUDRSNJFVAEAMQ-UWVGGRQHSA-N
MW185.27 g/mol
LogP0.97
Rot. Bonds1

About (2S,3S)-3-piperidin-1-yloxan-2-ol

(2S,3S)-3-piperidin-1-yloxan-2-ol (PubChem CID 21150559) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S,3S)-3-piperidin-1-yloxan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-piperidin-1-yloxan-2-ol
PubChem CID21150559
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S,3S)-3-piperidin-1-yloxan-2-ol
SMILESO[C@H]1OCCC[C@@H]1N1CCCCC1
InChIInChI=1S/C10H19NO2/c12-10-9(5-4-8-13-10)11-6-2-1-3-7-11/h9-10,12H,1-8H2/t9-,10-/m0/s1
InChIKeyTUDRSNJFVAEAMQ-UWVGGRQHSA-N
XLogP0.97
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
CID 124555057
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol
CID 131701520
cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
(3R)-3-piperidin-1-yloxiran-2-ol
CID 155221642
2-(1,4-oxazepan-4-yl)cyclododecan-1-ol
CID 62972583
(2R)-N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]oxolane-2-carboxamide
CID 100570398
trans-(1S,2S)-2-(2-methyl-1,4-oxazepan-4-yl)cyclopentan-1-ol
CID 102734689
[2-(azepan-1-yl)cyclopentyl]methanol
CID 106364698
1-[(2R)-2-methylcyclopentyl]piperidine
CID 59715874

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-piperidin-1-yloxan-2-ol?
The IUPAC name of (2S,3S)-3-piperidin-1-yloxan-2-ol (CID 21150559) is (2S,3S)-3-piperidin-1-yloxan-2-ol.
What is the SMILES notation for (2S,3S)-3-piperidin-1-yloxan-2-ol?
The canonical SMILES for (2S,3S)-3-piperidin-1-yloxan-2-ol is O[C@H]1OCCC[C@@H]1N1CCCCC1.
What is the InChIKey of (2S,3S)-3-piperidin-1-yloxan-2-ol?
The InChIKey is TUDRSNJFVAEAMQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19NO2/c12-10-9(5-4-8-13-10)11-6-2-1-3-7-11/h9-10,12H,1-8H2/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-3-piperidin-1-yloxan-2-ol?
(2S,3S)-3-piperidin-1-yloxan-2-ol has a molecular weight of 185.27 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-piperidin-1-yloxan-2-ol is sourced from PubChem (CID 21150559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).