piperidine-3,4-diol;hydrochloride

C5H12ClNO2 — CID 22929454

IUPACpiperidine-3,4-diol;hydrochloride
SMILESCl.OC1CCNCC1O
InChIInChI=1S/C5H11NO2.ClH/c7-4-1-2-6-3-5(4)8;/h4-8H,1-3H2;1H
InChIKeyDGTFLCBNCAMFON-UHFFFAOYSA-N
MW153.61 g/mol
LogP-0.88
Rot. Bonds

About piperidine-3,4-diol;hydrochloride

piperidine-3,4-diol;hydrochloride (PubChem CID 22929454) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is piperidine-3,4-diol;hydrochloride.

Molecular Properties

Compound Namepiperidine-3,4-diol;hydrochloride
PubChem CID22929454
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namepiperidine-3,4-diol;hydrochloride
SMILESCl.OC1CCNCC1O
InChIInChI=1S/C5H11NO2.ClH/c7-4-1-2-6-3-5(4)8;/h4-8H,1-3H2;1H
InChIKeyDGTFLCBNCAMFON-UHFFFAOYSA-N
XLogP-0.88
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidine-3,4-diol;hydrochloride?
The IUPAC name of piperidine-3,4-diol;hydrochloride (CID 22929454) is piperidine-3,4-diol;hydrochloride.
What is the SMILES notation for piperidine-3,4-diol;hydrochloride?
The canonical SMILES for piperidine-3,4-diol;hydrochloride is Cl.OC1CCNCC1O.
What is the InChIKey of piperidine-3,4-diol;hydrochloride?
The InChIKey is DGTFLCBNCAMFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c7-4-1-2-6-3-5(4)8;/h4-8H,1-3H2;1H.
What are the key properties of piperidine-3,4-diol;hydrochloride?
piperidine-3,4-diol;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of -0.88, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-3,4-diol;hydrochloride is sourced from PubChem (CID 22929454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).