piperidine-3,4,5-triol;hydrochloride

C5H12ClNO3 — CID 73223230

IUPACpiperidine-3,4,5-triol;hydrochloride
SMILESCl.OC1CNCC(O)C1O
InChIInChI=1S/C5H11NO3.ClH/c7-3-1-6-2-4(8)5(3)9;/h3-9H,1-2H2;1H
InChIKeySUNAKFXBBOTQAO-UHFFFAOYSA-N
MW169.61 g/mol
LogP-1.91
Rot. Bonds

About piperidine-3,4,5-triol;hydrochloride

piperidine-3,4,5-triol;hydrochloride (PubChem CID 73223230) has the molecular formula C5H12ClNO3 and a molecular weight of 169.61 g/mol. Its IUPAC name is piperidine-3,4,5-triol;hydrochloride.

Molecular Properties

Compound Namepiperidine-3,4,5-triol;hydrochloride
PubChem CID73223230
Molecular FormulaC5H12ClNO3
Molecular Weight169.61 g/mol
Exact Mass169.05
IUPAC Namepiperidine-3,4,5-triol;hydrochloride
SMILESCl.OC1CNCC(O)C1O
InChIInChI=1S/C5H11NO3.ClH/c7-3-1-6-2-4(8)5(3)9;/h3-9H,1-2H2;1H
InChIKeySUNAKFXBBOTQAO-UHFFFAOYSA-N
XLogP-1.91
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5R)-piperidine-3,4,5-triol
CID 10464382
(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
CID 146675644
(3R,4S,5R,6R)-6-methylazepane-3,4,5-triol;hydrochloride
CID 56950388
(3R,4S,5R,6S)-6-methylazepane-3,4,5-triol;hydrochloride
CID 56950390
(3R,4S,5R,6R)-6-(hydroxymethyl)azepane-3,4,5-triol;hydrochloride
CID 56949706
(3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol
CID 139845790
(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
CID 159190224
(3S,4R,5S)-5-(hydroxymethyl)piperidine-3,4-diol
CID 10510991
(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride
CID 67314821
(3S,4R,5S)-5-(dimethylamino)piperidine-3,4-diol
CID 156809597
6-methoxyazepane-3,4,5-triol
CID 18417377
(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
CID 112756828

Frequently Asked Questions

What is the IUPAC name of piperidine-3,4,5-triol;hydrochloride?
The IUPAC name of piperidine-3,4,5-triol;hydrochloride (CID 73223230) is piperidine-3,4,5-triol;hydrochloride.
What is the SMILES notation for piperidine-3,4,5-triol;hydrochloride?
The canonical SMILES for piperidine-3,4,5-triol;hydrochloride is Cl.OC1CNCC(O)C1O.
What is the InChIKey of piperidine-3,4,5-triol;hydrochloride?
The InChIKey is SUNAKFXBBOTQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.ClH/c7-3-1-6-2-4(8)5(3)9;/h3-9H,1-2H2;1H.
What are the key properties of piperidine-3,4,5-triol;hydrochloride?
piperidine-3,4,5-triol;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of -1.91, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-3,4,5-triol;hydrochloride is sourced from PubChem (CID 73223230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).