(2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium

C13H24N+ — CID 122482659

IUPAC(2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium
SMILESC=CC[N+]1(CC=C)[C@H](C)CCC[C@H]1C
InChIInChI=1S/C13H24N/c1-5-10-14(11-6-2)12(3)8-7-9-13(14)4/h5-6,12-13H,1-2,7-11H2,3-4H3/q+1/t12-,13-/m1/s1
InChIKeyUDYZDNQEWMFGII-CHWSQXEVSA-N
MW194.34 g/mol
LogP3.14
Rot. Bonds4

About (2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium

(2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium (PubChem CID 122482659) has the molecular formula C13H24N+ and a molecular weight of 194.34 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium
PubChem CID122482659
Molecular FormulaC13H24N+
Molecular Weight194.34 g/mol
Exact Mass194.19
IUPAC Name(2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium
SMILESC=CC[N+]1(CC=C)[C@H](C)CCC[C@H]1C
InChIInChI=1S/C13H24N/c1-5-10-14(11-6-2)12(3)8-7-9-13(14)4/h5-6,12-13H,1-2,7-11H2,3-4H3/q+1/t12-,13-/m1/s1
InChIKeyUDYZDNQEWMFGII-CHWSQXEVSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1,1-diethyl-2,6-dimethylpiperidin-1-ium;methyl sulfate
CID 122621694
N-but-3-enyl-2,6-dimethylcyclohexan-1-amine
CID 104577567
ethane;methylcyclobutane;propane;prop-1-ene
CID 171536362
(2S,6S)-1-ethyl-1,2,6-trimethylpiperidin-1-ium
CID 129388701
but-1-ene;ethane;methylcyclopentane
CID 153403390
(2R,6R)-2,6-bis(prop-2-enyl)piperidine
CID 12967356
(2S,4S,5S)-2,5-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium-4-ol
CID 1393166
(2S,6R)-2,6-dimethylphosphinane
CID 101264634
6-ethenyl-7-methylbicyclo[3.2.0]heptane
CID 147666002
but-1-ene;ethylcyclobutane;ethylcyclopropane;methane
CID 158958125
2,6-dimethyl-N-prop-2-enylpiperidin-1-amine
CID 83013567
1-ethyl-1-prop-2-enylpiperidin-1-ium
CID 14615527

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium?
The IUPAC name of (2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium (CID 122482659) is (2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium?
The canonical SMILES for (2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium is C=CC[N+]1(CC=C)[C@H](C)CCC[C@H]1C.
What is the InChIKey of (2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium?
The InChIKey is UDYZDNQEWMFGII-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H24N/c1-5-10-14(11-6-2)12(3)8-7-9-13(14)4/h5-6,12-13H,1-2,7-11H2,3-4H3/q+1/t12-,13-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium?
(2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium has a molecular weight of 194.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-1,1-bis(prop-2-enyl)piperidin-1-ium is sourced from PubChem (CID 122482659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).