piperidin-3-one;hydrobromide

C5H10BrNO — CID 45358495

IUPACpiperidin-3-one;hydrobromide
SMILESBr.O=C1CCCNC1
InChIInChI=1S/C5H9NO.BrH/c7-5-2-1-3-6-4-5;/h6H,1-4H2;1H
InChIKeyWQTJFTRRMZSDHB-UHFFFAOYSA-N
MW180.04 g/mol
LogP0.52
Rot. Bonds

About piperidin-3-one;hydrobromide

piperidin-3-one;hydrobromide (PubChem CID 45358495) has the molecular formula C5H10BrNO and a molecular weight of 180.04 g/mol. Its IUPAC name is piperidin-3-one;hydrobromide.

Molecular Properties

Compound Namepiperidin-3-one;hydrobromide
PubChem CID45358495
Molecular FormulaC5H10BrNO
Molecular Weight180.04 g/mol
Exact Mass178.99
IUPAC Namepiperidin-3-one;hydrobromide
SMILESBr.O=C1CCCNC1
InChIInChI=1S/C5H9NO.BrH/c7-5-2-1-3-6-4-5;/h6H,1-4H2;1H
InChIKeyWQTJFTRRMZSDHB-UHFFFAOYSA-N
XLogP0.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.04
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-3-one;hydrobromide?
The IUPAC name of piperidin-3-one;hydrobromide (CID 45358495) is piperidin-3-one;hydrobromide.
What is the SMILES notation for piperidin-3-one;hydrobromide?
The canonical SMILES for piperidin-3-one;hydrobromide is Br.O=C1CCCNC1.
What is the InChIKey of piperidin-3-one;hydrobromide?
The InChIKey is WQTJFTRRMZSDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.BrH/c7-5-2-1-3-6-4-5;/h6H,1-4H2;1H.
What are the key properties of piperidin-3-one;hydrobromide?
piperidin-3-one;hydrobromide has a molecular weight of 180.04 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-one;hydrobromide is sourced from PubChem (CID 45358495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).