(3S)-5-(hydroxymethyl)piperidin-3-ol

C6H13NO2 — CID 59011067

IUPAC(3S)-5-(hydroxymethyl)piperidin-3-ol
SMILESOCC1CNC[C@@H](O)C1
InChIInChI=1S/C6H13NO2/c8-4-5-1-6(9)3-7-2-5/h5-9H,1-4H2/t5?,6-/m0/s1
InChIKeyXCPUOKRBVCHXNS-GDVGLLTNSA-N
MW131.18 g/mol
LogP-1.05
Rot. Bonds1

About (3S)-5-(hydroxymethyl)piperidin-3-ol

(3S)-5-(hydroxymethyl)piperidin-3-ol (PubChem CID 59011067) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3S)-5-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-5-(hydroxymethyl)piperidin-3-ol
PubChem CID59011067
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3S)-5-(hydroxymethyl)piperidin-3-ol
SMILESOCC1CNC[C@@H](O)C1
InChIInChI=1S/C6H13NO2/c8-4-5-1-6(9)3-7-2-5/h5-9H,1-4H2/t5?,6-/m0/s1
InChIKeyXCPUOKRBVCHXNS-GDVGLLTNSA-N
XLogP-1.05
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-5-(hydroxymethyl)piperidin-3-ol
CID 55287998
ethane;5-(hydroxymethyl)piperidin-3-ol
CID 143590323
6-(hydroxymethyl)azepan-4-ol
CID 164538726
(3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol
CID 10997956
[(3R,5S)-5-fluoropiperidin-3-yl]methanol
CID 96532394
3-(hydroxymethyl)cyclobutan-1-ol
CID 14045176
(5-methoxypiperidin-3-yl)methanol
CID 166104648
[(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride
CID 166104604
azetidin-3-ol;hydrobromide
CID 142777193
1,4,7-triazecan-9-ylmethanol
CID 102398679
(5-cyclohexylpiperidin-3-yl)methanol
CID 83915896
trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol
CID 45098984

Frequently Asked Questions

What is the IUPAC name of (3S)-5-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3S)-5-(hydroxymethyl)piperidin-3-ol (CID 59011067) is (3S)-5-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3S)-5-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3S)-5-(hydroxymethyl)piperidin-3-ol is OCC1CNC[C@@H](O)C1.
What is the InChIKey of (3S)-5-(hydroxymethyl)piperidin-3-ol?
The InChIKey is XCPUOKRBVCHXNS-GDVGLLTNSA-N. The full InChI is InChI=1S/C6H13NO2/c8-4-5-1-6(9)3-7-2-5/h5-9H,1-4H2/t5?,6-/m0/s1.
What are the key properties of (3S)-5-(hydroxymethyl)piperidin-3-ol?
(3S)-5-(hydroxymethyl)piperidin-3-ol has a molecular weight of 131.18 g/mol, XLogP of -1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 59011067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).