piperidin-1-ium-4-one chloride

C5H10ClNO — CID 11789260

IUPACpiperidin-1-ium-4-one chloride
SMILESO=C1CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C5H9NO.ClH/c7-5-1-3-6-4-2-5;/h6H,1-4H2;1H
InChIKeyGJQNVZVOTKFLIU-UHFFFAOYSA-N
MW135.59 g/mol
LogP-4.08
Rot. Bonds

About piperidin-1-ium-4-one chloride

piperidin-1-ium-4-one chloride (PubChem CID 11789260) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is piperidin-1-ium-4-one chloride.

Molecular Properties

Compound Namepiperidin-1-ium-4-one chloride
PubChem CID11789260
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Namepiperidin-1-ium-4-one chloride
SMILESO=C1CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C5H9NO.ClH/c7-5-1-3-6-4-2-5;/h6H,1-4H2;1H
InChIKeyGJQNVZVOTKFLIU-UHFFFAOYSA-N
XLogP-4.08
TPSA33.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 5-4.08
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
3-Methylpiperidin-4-one
CID 12284277
3-Methyl-piperidin-4-one hydrochloride
CID 22728864
Piperidin-3-one hydrochloride
CID 22707028
2,6-Dimethylpiperidin-4-one hydrochloride
CID 53485283
Piperidin-3-one
CID 33722
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
2-Methylpiperidin-4-one
CID 4913038

Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium-4-one chloride?
The IUPAC name of piperidin-1-ium-4-one chloride (CID 11789260) is piperidin-1-ium-4-one chloride.
What is the SMILES notation for piperidin-1-ium-4-one chloride?
The canonical SMILES for piperidin-1-ium-4-one chloride is O=C1CC[NH2+]CC1.[Cl-].
What is the InChIKey of piperidin-1-ium-4-one chloride?
The InChIKey is GJQNVZVOTKFLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.ClH/c7-5-1-3-6-4-2-5;/h6H,1-4H2;1H.
What are the key properties of piperidin-1-ium-4-one chloride?
piperidin-1-ium-4-one chloride has a molecular weight of 135.59 g/mol, XLogP of -4.08, 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 chloride is sourced from PubChem (CID 11789260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).