1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium

C14H28N+ — CID 3125820

IUPAC1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium
SMILESCC(C)=CCCC(C)[N+]1(C)CCCCC1
InChIInChI=1S/C14H28N/c1-13(2)9-8-10-14(3)15(4)11-6-5-7-12-15/h9,14H,5-8,10-12H2,1-4H3/q+1
InChIKeyPVERYEVKZXSMFS-UHFFFAOYSA-N
MW210.38 g/mol
LogP3.75
Rot. Bonds4

About 1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium

1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium (PubChem CID 3125820) has the molecular formula C14H28N+ and a molecular weight of 210.38 g/mol. Its IUPAC name is 1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium
PubChem CID3125820
Molecular FormulaC14H28N+
Molecular Weight210.38 g/mol
Exact Mass210.22
IUPAC Name1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium
SMILESCC(C)=CCCC(C)[N+]1(C)CCCCC1
InChIInChI=1S/C14H28N/c1-13(2)9-8-10-14(3)15(4)11-6-5-7-12-15/h9,14H,5-8,10-12H2,1-4H3/q+1
InChIKeyPVERYEVKZXSMFS-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.38
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium?
The IUPAC name of 1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium (CID 3125820) is 1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium.
What is the SMILES notation for 1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium?
The canonical SMILES for 1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium is CC(C)=CCCC(C)[N+]1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium?
The InChIKey is PVERYEVKZXSMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N/c1-13(2)9-8-10-14(3)15(4)11-6-5-7-12-15/h9,14H,5-8,10-12H2,1-4H3/q+1.
What are the key properties of 1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium?
1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium has a molecular weight of 210.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium is sourced from PubChem (CID 3125820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).