[(3R)-1-methylpiperidin-1-ium-3-yl]azanium

C6H16N2+2 — CID 7446916

IUPAC[(3R)-1-methylpiperidin-1-ium-3-yl]azanium
SMILESC[NH+]1CCC[C@@H]([NH3+])C1
InChIInChI=1S/C6H14N2/c1-8-4-2-3-6(7)5-8/h6H,2-5,7H2,1H3/p+2/t6-/m1/s1
InChIKeyQZSACHHNFDNCNB-ZCFIWIBFSA-P
MW116.21 g/mol
LogP-2.09
Rot. Bonds

About [(3R)-1-methylpiperidin-1-ium-3-yl]azanium

[(3R)-1-methylpiperidin-1-ium-3-yl]azanium (PubChem CID 7446916) has the molecular formula C6H16N2+2 and a molecular weight of 116.21 g/mol. Its IUPAC name is [(3R)-1-methylpiperidin-1-ium-3-yl]azanium.

Molecular Properties

Compound Name[(3R)-1-methylpiperidin-1-ium-3-yl]azanium
PubChem CID7446916
Molecular FormulaC6H16N2+2
Molecular Weight116.21 g/mol
Exact Mass116.13
IUPAC Name[(3R)-1-methylpiperidin-1-ium-3-yl]azanium
SMILESC[NH+]1CCC[C@@H]([NH3+])C1
InChIInChI=1S/C6H14N2/c1-8-4-2-3-6(7)5-8/h6H,2-5,7H2,1H3/p+2/t6-/m1/s1
InChIKeyQZSACHHNFDNCNB-ZCFIWIBFSA-P
XLogP-2.09
TPSA32.08 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 5-2.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-methylpiperidin-1-ium-3-yl]azanium?
The IUPAC name of [(3R)-1-methylpiperidin-1-ium-3-yl]azanium (CID 7446916) is [(3R)-1-methylpiperidin-1-ium-3-yl]azanium.
What is the SMILES notation for [(3R)-1-methylpiperidin-1-ium-3-yl]azanium?
The canonical SMILES for [(3R)-1-methylpiperidin-1-ium-3-yl]azanium is C[NH+]1CCC[C@@H]([NH3+])C1.
What is the InChIKey of [(3R)-1-methylpiperidin-1-ium-3-yl]azanium?
The InChIKey is QZSACHHNFDNCNB-ZCFIWIBFSA-P. The full InChI is InChI=1S/C6H14N2/c1-8-4-2-3-6(7)5-8/h6H,2-5,7H2,1H3/p+2/t6-/m1/s1.
What are the key properties of [(3R)-1-methylpiperidin-1-ium-3-yl]azanium?
[(3R)-1-methylpiperidin-1-ium-3-yl]azanium has a molecular weight of 116.21 g/mol, XLogP of -2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-methylpiperidin-1-ium-3-yl]azanium is sourced from PubChem (CID 7446916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).