1-[(E)-hex-2-enylidene]piperidin-1-ium

C11H20N+ — CID 101234498

IUPAC1-[(E)-hex-2-enylidene]piperidin-1-ium
SMILESCCC/C=C/C=[N+]1CCCCC1
InChIInChI=1S/C11H20N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h4,6,9H,2-3,5,7-8,10-11H2,1H3/q+1/b6-4+
InChIKeyLSIPLAOJDSGUPP-GQCTYLIASA-N
MW166.29 g/mol
LogP2.61
Rot. Bonds3

About 1-[(E)-hex-2-enylidene]piperidin-1-ium

1-[(E)-hex-2-enylidene]piperidin-1-ium (PubChem CID 101234498) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is 1-[(E)-hex-2-enylidene]piperidin-1-ium.

Molecular Properties

Compound Name1-[(E)-hex-2-enylidene]piperidin-1-ium
PubChem CID101234498
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Name1-[(E)-hex-2-enylidene]piperidin-1-ium
SMILESCCC/C=C/C=[N+]1CCCCC1
InChIInChI=1S/C11H20N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h4,6,9H,2-3,5,7-8,10-11H2,1H3/q+1/b6-4+
InChIKeyLSIPLAOJDSGUPP-GQCTYLIASA-N
XLogP2.61
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(6Z)-6-deuterio-1-methyl-2,3,4,5-tetrahydroazocin-1-ium
CID 59063404
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
N-[(Z)-5-(1-methylpiperidin-4-ylidene)pent-1-enyl]ethanimine
CID 142099607
4-ethylidene-1-methylpiperidine;N-methylbut-3-en-1-imine
CID 143059291
(E)-N,3-dimethylhex-4-en-1-imine;methane;1-methylpiperidine
CID 143171835
2-Piperidin-1-yl-2,3-dihydropyridine
CID 147549646
1-(2-Cyclohexylideneethylidene)piperidin-1-ium
CID 11097049
1-[(E)-but-2-enylidene]piperidin-1-ium
CID 101234497
5-But-3-enyl-1-hex-5-enyl-2,3-dihydropyridin-1-ium
CID 102121857
(E,E)-N-piperidin-1-ylhex-2-en-1-imine
CID 121217830
(Z,Z)-4-methyl-N-(1-piperidin-1-ylethyl)pent-2-en-1-imine
CID 169103840

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-hex-2-enylidene]piperidin-1-ium?
The IUPAC name of 1-[(E)-hex-2-enylidene]piperidin-1-ium (CID 101234498) is 1-[(E)-hex-2-enylidene]piperidin-1-ium.
What is the SMILES notation for 1-[(E)-hex-2-enylidene]piperidin-1-ium?
The canonical SMILES for 1-[(E)-hex-2-enylidene]piperidin-1-ium is CCC/C=C/C=[N+]1CCCCC1.
What is the InChIKey of 1-[(E)-hex-2-enylidene]piperidin-1-ium?
The InChIKey is LSIPLAOJDSGUPP-GQCTYLIASA-N. The full InChI is InChI=1S/C11H20N/c1-2-3-4-6-9-12-10-7-5-8-11-12/h4,6,9H,2-3,5,7-8,10-11H2,1H3/q+1/b6-4+.
What are the key properties of 1-[(E)-hex-2-enylidene]piperidin-1-ium?
1-[(E)-hex-2-enylidene]piperidin-1-ium has a molecular weight of 166.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hex-2-enylidene]piperidin-1-ium is sourced from PubChem (CID 101234498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).