1,3-di(propan-2-ylidene)piperidin-1-ium

C11H20N+ — CID 58355855

IUPAC1,3-di(propan-2-ylidene)piperidin-1-ium
SMILESCC(C)=C1CCC[N+](=C(C)C)C1
InChIInChI=1S/C11H20N/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8H2,1-4H3/q+1
InChIKeyRCDGSCQVFUHVBT-UHFFFAOYSA-N
MW166.29 g/mol
LogP2.61
Rot. Bonds

About 1,3-di(propan-2-ylidene)piperidin-1-ium

1,3-di(propan-2-ylidene)piperidin-1-ium (PubChem CID 58355855) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is 1,3-di(propan-2-ylidene)piperidin-1-ium.

Molecular Properties

Compound Name1,3-di(propan-2-ylidene)piperidin-1-ium
PubChem CID58355855
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Name1,3-di(propan-2-ylidene)piperidin-1-ium
SMILESCC(C)=C1CCC[N+](=C(C)C)C1
InChIInChI=1S/C11H20N/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8H2,1-4H3/q+1
InChIKeyRCDGSCQVFUHVBT-UHFFFAOYSA-N
XLogP2.61
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Propan-2-yl-3-propan-2-ylidenepiperidine
CID 117691376
3-Methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 131997937
1-Methyl-3-propan-2-ylidenepiperidine
CID 134228663
7-Methyl-2,3,4,6,8,9-hexahydropyrido[4,3-b]azepine
CID 141946412
(3Z)-N,1-dimethyl-3-propylidenepiperidin-4-imine
CID 143453287
1-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-N-methylpropan-1-imine
CID 145046716
ethane;(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine
CID 170634196
(3Z)-N-ethyl-3-ethylidene-1-propan-2-ylpiperidin-4-imine
CID 170634197

Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-ylidene)piperidin-1-ium?
The IUPAC name of 1,3-di(propan-2-ylidene)piperidin-1-ium (CID 58355855) is 1,3-di(propan-2-ylidene)piperidin-1-ium.
What is the SMILES notation for 1,3-di(propan-2-ylidene)piperidin-1-ium?
The canonical SMILES for 1,3-di(propan-2-ylidene)piperidin-1-ium is CC(C)=C1CCC[N+](=C(C)C)C1.
What is the InChIKey of 1,3-di(propan-2-ylidene)piperidin-1-ium?
The InChIKey is RCDGSCQVFUHVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8H2,1-4H3/q+1.
What are the key properties of 1,3-di(propan-2-ylidene)piperidin-1-ium?
1,3-di(propan-2-ylidene)piperidin-1-ium has a molecular weight of 166.29 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-ylidene)piperidin-1-ium is sourced from PubChem (CID 58355855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).