piperidine-4,4-diol;hydrochloride

C5H12ClNO2 — CID 11636836

IUPACpiperidine-4,4-diol;hydrochloride
SMILESCl.OC1(O)CCNCC1
InChIInChI=1S/C5H11NO2.ClH/c7-5(8)1-3-6-4-2-5;/h6-8H,1-4H2;1H
InChIKeyBQOLKFJNJCOALF-UHFFFAOYSA-N
MW153.61 g/mol
LogP-0.53
Rot. Bonds

About piperidine-4,4-diol;hydrochloride

piperidine-4,4-diol;hydrochloride (PubChem CID 11636836) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is piperidine-4,4-diol;hydrochloride.

Molecular Properties

Compound Namepiperidine-4,4-diol;hydrochloride
PubChem CID11636836
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namepiperidine-4,4-diol;hydrochloride
SMILESCl.OC1(O)CCNCC1
InChIInChI=1S/C5H11NO2.ClH/c7-5(8)1-3-6-4-2-5;/h6-8H,1-4H2;1H
InChIKeyBQOLKFJNJCOALF-UHFFFAOYSA-N
XLogP-0.53
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 ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidine-4,4-diol;hydrochloride?
The IUPAC name of piperidine-4,4-diol;hydrochloride (CID 11636836) is piperidine-4,4-diol;hydrochloride.
What is the SMILES notation for piperidine-4,4-diol;hydrochloride?
The canonical SMILES for piperidine-4,4-diol;hydrochloride is Cl.OC1(O)CCNCC1.
What is the InChIKey of piperidine-4,4-diol;hydrochloride?
The InChIKey is BQOLKFJNJCOALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c7-5(8)1-3-6-4-2-5;/h6-8H,1-4H2;1H.
What are the key properties of piperidine-4,4-diol;hydrochloride?
piperidine-4,4-diol;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of -0.53, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-4,4-diol;hydrochloride is sourced from PubChem (CID 11636836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).