1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium

C18H32N+ — CID 3906191

IUPAC1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium
SMILESC=CC[N+]1(CC2C(C)C=C(C)CC2C)CCCCC1
InChIInChI=1S/C18H32N/c1-5-9-19(10-7-6-8-11-19)14-18-16(3)12-15(2)13-17(18)4/h5,12,16-18H,1,6-11,13-14H2,2-4H3/q+1
InChIKeyUDMJNZRMOVJSLS-UHFFFAOYSA-N
MW262.46 g/mol
LogP4.41
Rot. Bonds4

About 1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium

1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium (PubChem CID 3906191) has the molecular formula C18H32N+ and a molecular weight of 262.46 g/mol. Its IUPAC name is 1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium.

Molecular Properties

Compound Name1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium
PubChem CID3906191
Molecular FormulaC18H32N+
Molecular Weight262.46 g/mol
Exact Mass262.25
IUPAC Name1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium
SMILESC=CC[N+]1(CC2C(C)C=C(C)CC2C)CCCCC1
InChIInChI=1S/C18H32N/c1-5-9-19(10-7-6-8-11-19)14-18-16(3)12-15(2)13-17(18)4/h5,12,16-18H,1,6-11,13-14H2,2-4H3/q+1
InChIKeyUDMJNZRMOVJSLS-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.46
LogP ≤ 54.41
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'}

Analyze 1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium with MolForge

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Related Compounds

(6Z,10S,11R,19Z,23R)-1,14-diazatetracyclo[21.3.1.110,14.011,25]octacosa-6,19,24-triene
CID 10628969
Halicyclamine A
CID 10479489
Haliclonacylamine-A
CID 5469974
Neopetrosiamine A
CID 49765082
chloromethylhalicyclamine B
CID 137637189
Haliclonacyclamine F
CID 16215158
1-Methyl-1-((2,4,6-trimethylcyclohex-3-en-1-yl)methyl)piperidin-1-ium iodide
CID 16189254
(6Z,12S,14S,23Z,29S,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,23-diene
CID 21575080
Xestoproxamine C, (rel)-
CID 52936554
Xestoproxamine A, (rel)-
CID 52937691
Xestoproxamine B, (rel)-
CID 52937783
1-Methyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
CID 3122280

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium?
The IUPAC name of 1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium (CID 3906191) is 1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium.
What is the SMILES notation for 1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium?
The canonical SMILES for 1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium is C=CC[N+]1(CC2C(C)C=C(C)CC2C)CCCCC1.
What is the InChIKey of 1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium?
The InChIKey is UDMJNZRMOVJSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N/c1-5-9-19(10-7-6-8-11-19)14-18-16(3)12-15(2)13-17(18)4/h5,12,16-18H,1,6-11,13-14H2,2-4H3/q+1.
What are the key properties of 1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium?
1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium has a molecular weight of 262.46 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidin-1-ium is sourced from PubChem (CID 3906191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).