piperidin-1-ium-4-one

C5H10NO+ — CID 6994866

IUPACpiperidin-1-ium-4-one
SMILESO=C1CC[NH2+]CC1
InChIInChI=1S/C5H9NO/c7-5-1-3-6-4-2-5/h6H,1-4H2/p+1
InChIKeyVRJHQPZVIGNGMX-UHFFFAOYSA-O
MW100.14 g/mol
LogP-1.09
Rot. Bonds

About piperidin-1-ium-4-one

piperidin-1-ium-4-one (PubChem CID 6994866) has the molecular formula C5H10NO+ and a molecular weight of 100.14 g/mol. Its IUPAC name is piperidin-1-ium-4-one.

Molecular Properties

Compound Namepiperidin-1-ium-4-one
PubChem CID6994866
Molecular FormulaC5H10NO+
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Namepiperidin-1-ium-4-one
SMILESO=C1CC[NH2+]CC1
InChIInChI=1S/C5H9NO/c7-5-1-3-6-4-2-5/h6H,1-4H2/p+1
InChIKeyVRJHQPZVIGNGMX-UHFFFAOYSA-O
XLogP-1.09
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Piperidone
CID 33721
Piperonylamine
CID 2723901
4-Piperidone hydrochloride
CID 3084851
2,6-Dimethylpiperidin-4-one
CID 11040712
3-Methylpiperidin-4-one
CID 12284277
3-Methyl-piperidin-4-one hydrochloride
CID 22728864
Piperidin-3-one hydrochloride
CID 22707028
Piperidin-3-one
CID 33722
4-Piperidone (hydrochloride)
CID 11789260
rac-(3R,5R)-3,5-dimethylpiperidin-4-one hydrochloride
CID 122164161
(3R,5S)-3,5-dimethylpiperidin-4-one hydrochloride
CID 145913614
(3r,5s)-3,5-Dimethylpiperidin-4-one
CID 100975212

Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium-4-one?
The IUPAC name of piperidin-1-ium-4-one (CID 6994866) is piperidin-1-ium-4-one.
What is the SMILES notation for piperidin-1-ium-4-one?
The canonical SMILES for piperidin-1-ium-4-one is O=C1CC[NH2+]CC1.
What is the InChIKey of piperidin-1-ium-4-one?
The InChIKey is VRJHQPZVIGNGMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9NO/c7-5-1-3-6-4-2-5/h6H,1-4H2/p+1.
What are the key properties of piperidin-1-ium-4-one?
piperidin-1-ium-4-one has a molecular weight of 100.14 g/mol, XLogP of -1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium-4-one is sourced from PubChem (CID 6994866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).