(2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium

C13H28N2+2 — CID 7141710

IUPAC(2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium
SMILESC[C@H]1CCC[C@H](C)[NH+]1C[C@@H]1CCCC[NH2+]1
InChIInChI=1S/C13H26N2/c1-11-6-5-7-12(2)15(11)10-13-8-3-4-9-14-13/h11-14H,3-10H2,1-2H3/p+2/t11-,12-,13-/m0/s1
InChIKeyQPCPEWNGTUGRKV-AVGNSLFASA-P
MW212.38 g/mol
LogP-0.05
Rot. Bonds2

About (2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium

(2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium (PubChem CID 7141710) has the molecular formula C13H28N2+2 and a molecular weight of 212.38 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium
PubChem CID7141710
Molecular FormulaC13H28N2+2
Molecular Weight212.38 g/mol
Exact Mass212.22
IUPAC Name(2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium
SMILESC[C@H]1CCC[C@H](C)[NH+]1C[C@@H]1CCCC[NH2+]1
InChIInChI=1S/C13H26N2/c1-11-6-5-7-12(2)15(11)10-13-8-3-4-9-14-13/h11-14H,3-10H2,1-2H3/p+2/t11-,12-,13-/m0/s1
InChIKeyQPCPEWNGTUGRKV-AVGNSLFASA-P
XLogP-0.05
TPSA21.05 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium?
The IUPAC name of (2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium (CID 7141710) is (2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium?
The canonical SMILES for (2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium is C[C@H]1CCC[C@H](C)[NH+]1C[C@@H]1CCCC[NH2+]1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium?
The InChIKey is QPCPEWNGTUGRKV-AVGNSLFASA-P. The full InChI is InChI=1S/C13H26N2/c1-11-6-5-7-12(2)15(11)10-13-8-3-4-9-14-13/h11-14H,3-10H2,1-2H3/p+2/t11-,12-,13-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium?
(2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium has a molecular weight of 212.38 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-1-[[(2S)-piperidin-1-ium-2-yl]methyl]piperidin-1-ium is sourced from PubChem (CID 7141710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).