1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide

C7H16BrNO2 — CID 155803269

IUPAC1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide
SMILESOCC[NH+]1CCC(O)CC1.[Br-]
InChIInChI=1S/C7H15NO2.BrH/c9-6-5-8-3-1-7(10)2-4-8;/h7,9-10H,1-6H2;1H
InChIKeyCJNMKONJHNHEMS-UHFFFAOYSA-N
MW226.11 g/mol
LogP-4.98
Rot. Bonds2

About 1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide

1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide (PubChem CID 155803269) has the molecular formula C7H16BrNO2 and a molecular weight of 226.11 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide
PubChem CID155803269
Molecular FormulaC7H16BrNO2
Molecular Weight226.11 g/mol
Exact Mass225.04
IUPAC Name1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide
SMILESOCC[NH+]1CCC(O)CC1.[Br-]
InChIInChI=1S/C7H15NO2.BrH/c9-6-5-8-3-1-7(10)2-4-8;/h7,9-10H,1-6H2;1H
InChIKeyCJNMKONJHNHEMS-UHFFFAOYSA-N
XLogP-4.98
TPSA44.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 5-4.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxypiperidine
CID 23293
Piperidin-4-ol
CID 79341
(S)-3-Hydroxypiperidine
CID 6950221
3-Hydroxypiperidine, (R)-
CID 2759334
rac-(3R,5S)-piperidine-3,5-diol
CID 55286438
4-Hydroxypiperidinium chloride
CID 16212499
Piperidine-3,4-diol
CID 3400854
(3S,4R)-Piperidine-3,4-diol
CID 22795159
Piperidin-1-ium-4-ol chloride
CID 3014362
trans-3,4-Dihydroxypiperidine
CID 22795160
rel-(3R,4R)-3,4-Piperidinediol
CID 445613
4-Hydroxypiperidine-3,3,4,5,5-d5
CID 117064546

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide?
The IUPAC name of 1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide (CID 155803269) is 1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide.
What is the SMILES notation for 1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide?
The canonical SMILES for 1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide is OCC[NH+]1CCC(O)CC1.[Br-].
What is the InChIKey of 1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide?
The InChIKey is CJNMKONJHNHEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.BrH/c9-6-5-8-3-1-7(10)2-4-8;/h7,9-10H,1-6H2;1H.
What are the key properties of 1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide?
1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide has a molecular weight of 226.11 g/mol, XLogP of -4.98, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)piperidin-1-ium-4-ol bromide is sourced from PubChem (CID 155803269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).