piperidin-1-ium-3-ylazanium

C5H14N2+2 — CID 23382721

IUPACpiperidin-1-ium-3-ylazanium
SMILES[NH3+]C1CCC[NH2+]C1
InChIInChI=1S/C5H12N2/c6-5-2-1-3-7-4-5/h5,7H,1-4,6H2/p+2
InChIKeyPEUGKEHLRUVPAN-UHFFFAOYSA-P
MW102.18 g/mol
LogP-2.05
Rot. Bonds

About piperidin-1-ium-3-ylazanium

piperidin-1-ium-3-ylazanium (PubChem CID 23382721) has the molecular formula C5H14N2+2 and a molecular weight of 102.18 g/mol. Its IUPAC name is piperidin-1-ium-3-ylazanium.

Molecular Properties

Compound Namepiperidin-1-ium-3-ylazanium
PubChem CID23382721
Molecular FormulaC5H14N2+2
Molecular Weight102.18 g/mol
Exact Mass102.11
IUPAC Namepiperidin-1-ium-3-ylazanium
SMILES[NH3+]C1CCC[NH2+]C1
InChIInChI=1S/C5H12N2/c6-5-2-1-3-7-4-5/h5,7H,1-4,6H2/p+2
InChIKeyPEUGKEHLRUVPAN-UHFFFAOYSA-P
XLogP-2.05
TPSA44.25 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 5-2.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

pyrrolidin-1-ium-3-ylazanium dichloride
CID 71832143
(3R)-3-fluoropiperidin-1-ium
CID 7158199
(3S)-3-methylpiperidin-1-ium
CID 6994394
aminoazanium;cyclohexylazanium
CID 21317022
(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium
CID 36690052
N-[[(3R)-piperidin-1-ium-3-yl]methyl]methanesulfonamide
CID 7175799
cyclopropylazanium dichloride
CID 173255049
[(1S,2S)-2-azaniumylcyclohexyl]azanium dichloride
CID 11788705
ethane;2-piperidin-1-ium-3-ylethenol
CID 143898592
(5-aminocyclooctyl)azanium
CID 153193766
[(1R,2R)-2-azaniumylcyclohexyl]azanium;chromium(6+);tetrakis(oxygen(2-))
CID 139088241
[(6S,7R)-7-azaniumyl-1,4-diazocane-1,4-diium-6-yl]methylazanium
CID 59071534

Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium-3-ylazanium?
The IUPAC name of piperidin-1-ium-3-ylazanium (CID 23382721) is piperidin-1-ium-3-ylazanium.
What is the SMILES notation for piperidin-1-ium-3-ylazanium?
The canonical SMILES for piperidin-1-ium-3-ylazanium is [NH3+]C1CCC[NH2+]C1.
What is the InChIKey of piperidin-1-ium-3-ylazanium?
The InChIKey is PEUGKEHLRUVPAN-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H12N2/c6-5-2-1-3-7-4-5/h5,7H,1-4,6H2/p+2.
What are the key properties of piperidin-1-ium-3-ylazanium?
piperidin-1-ium-3-ylazanium has a molecular weight of 102.18 g/mol, XLogP of -2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium-3-ylazanium is sourced from PubChem (CID 23382721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).