3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide

C9H20BrNO2 — CID 21144774

IUPAC3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
SMILESBr.OCCCN1CCCCC1CO
InChIInChI=1S/C9H19NO2.BrH/c11-7-3-6-10-5-2-1-4-9(10)8-12;/h9,11-12H,1-8H2;1H
InChIKeyNSYOWQRDBPSAAM-UHFFFAOYSA-N
MW254.17 g/mol
LogP0.79
Rot. Bonds4

About 3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide

3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide (PubChem CID 21144774) has the molecular formula C9H20BrNO2 and a molecular weight of 254.17 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
PubChem CID21144774
Molecular FormulaC9H20BrNO2
Molecular Weight254.17 g/mol
Exact Mass253.07
IUPAC Name3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide
SMILESBr.OCCCN1CCCCC1CO
InChIInChI=1S/C9H19NO2.BrH/c11-7-3-6-10-5-2-1-4-9(10)8-12;/h9,11-12H,1-8H2;1H
InChIKeyNSYOWQRDBPSAAM-UHFFFAOYSA-N
XLogP0.79
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(fluoromethyl)piperidin-1-yl]propan-1-ol
CID 67281164
[1-(3-chloropropyl)piperidin-2-yl]methanol
CID 61407786
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
[1-(5-sulfanylpentyl)azepan-2-yl]methanol
CID 116640612
[1-(3-methylsulfanylpropyl)piperidin-2-yl]methanol
CID 115665425
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
6-[2-(2-hydroxyethyl)piperidin-1-yl]hexan-1-ol
CID 103737919
[1-(3-methylsulfanylpropyl)azepan-2-yl]methanol
CID 116637761
4-[2-(aminomethyl)azepan-1-yl]butan-1-ol
CID 116640497
[1-(4-methoxybutyl)azepan-2-yl]methanol
CID 116637260
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
[1-(3-aminopropyl)pyrrolidin-2-yl]methanol;dihydrochloride
CID 175453731

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide?
The IUPAC name of 3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide (CID 21144774) is 3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide.
What is the SMILES notation for 3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide?
The canonical SMILES for 3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide is Br.OCCCN1CCCCC1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide?
The InChIKey is NSYOWQRDBPSAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.BrH/c11-7-3-6-10-5-2-1-4-9(10)8-12;/h9,11-12H,1-8H2;1H.
What are the key properties of 3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide?
3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide has a molecular weight of 254.17 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-ol;hydrobromide is sourced from PubChem (CID 21144774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).