piperidin-1-ium

C5H12N+ — CID 637969

IUPACpiperidin-1-ium
SMILESC1CC[NH2+]CC1
InChIInChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2/p+1
InChIKeyNQRYJNQNLNOLGT-UHFFFAOYSA-O
MW86.16 g/mol
LogP-0.27
Rot. Bonds

About piperidin-1-ium

piperidin-1-ium (PubChem CID 637969) has the molecular formula C5H12N+ and a molecular weight of 86.16 g/mol. Its IUPAC name is piperidin-1-ium.

Molecular Properties

Compound Namepiperidin-1-ium
PubChem CID637969
Molecular FormulaC5H12N+
Molecular Weight86.16 g/mol
Exact Mass86.10
IUPAC Namepiperidin-1-ium
SMILESC1CC[NH2+]CC1
InChIInChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2/p+1
InChIKeyNQRYJNQNLNOLGT-UHFFFAOYSA-O
XLogP-0.27
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium?
The IUPAC name of piperidin-1-ium (CID 637969) is piperidin-1-ium.
What is the SMILES notation for piperidin-1-ium?
The canonical SMILES for piperidin-1-ium is C1CC[NH2+]CC1.
What is the InChIKey of piperidin-1-ium?
The InChIKey is NQRYJNQNLNOLGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2/p+1.
What are the key properties of piperidin-1-ium?
piperidin-1-ium has a molecular weight of 86.16 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium is sourced from PubChem (CID 637969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).