piperidin-1-ium chloride

C5H12ClN — CID 22465

IUPACpiperidin-1-ium chloride
SMILESC1CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C5H11N.ClH/c1-2-4-6-5-3-1;/h6H,1-5H2;1H
InChIKeyVEIWYFRREFUNRC-UHFFFAOYSA-N
MW121.61 g/mol
LogP-3.26
Rot. Bonds

About piperidin-1-ium chloride

piperidin-1-ium chloride (PubChem CID 22465) has the molecular formula C5H12ClN and a molecular weight of 121.61 g/mol. Its IUPAC name is piperidin-1-ium chloride.

Molecular Properties

Compound Namepiperidin-1-ium chloride
PubChem CID22465
Molecular FormulaC5H12ClN
Molecular Weight121.61 g/mol
Exact Mass121.07
IUPAC Namepiperidin-1-ium chloride
SMILESC1CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C5H11N.ClH/c1-2-4-6-5-3-1;/h6H,1-5H2;1H
InChIKeyVEIWYFRREFUNRC-UHFFFAOYSA-N
XLogP-3.26
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.61
LogP ≤ 5-3.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Piperidine
CID 8082
4-Fluoropiperidine
CID 2759159
Piperidine, hydrochloride (1:1)
CID 2723721
3-Fluoropiperidine
CID 2759157
1-Piperidinium
CID 637969
Piperidine, hydrobromide (1:1)
CID 203244
(~2~H_11_)Piperidine
CID 16212919
2-Methylpiperidine hydrochloride
CID 12231239
4-Chloropiperidine
CID 420932
4,4-Difluoropiperidine hydrochloride
CID 2758351
rac-(3R,5S)-3,5-difluoropiperidine hydrochloride
CID 135800020
3,3-Difluoropiperidine hydrochloride
CID 2758349

Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium chloride?
The IUPAC name of piperidin-1-ium chloride (CID 22465) is piperidin-1-ium chloride.
What is the SMILES notation for piperidin-1-ium chloride?
The canonical SMILES for piperidin-1-ium chloride is C1CC[NH2+]CC1.[Cl-].
What is the InChIKey of piperidin-1-ium chloride?
The InChIKey is VEIWYFRREFUNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.ClH/c1-2-4-6-5-3-1;/h6H,1-5H2;1H.
What are the key properties of piperidin-1-ium chloride?
piperidin-1-ium chloride has a molecular weight of 121.61 g/mol, XLogP of -3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium chloride is sourced from PubChem (CID 22465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).