1-methyl-1-prop-1-en-2-ylpiperidin-1-ium

C9H18N+ — CID 91801468

IUPAC1-methyl-1-prop-1-en-2-ylpiperidin-1-ium
SMILESC=C(C)[N+]1(C)CCCCC1
InChIInChI=1S/C9H18N/c1-9(2)10(3)7-5-4-6-8-10/h1,4-8H2,2-3H3/q+1
InChIKeyUMCWEPHURNTPPV-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.15
Rot. Bonds1

About 1-methyl-1-prop-1-en-2-ylpiperidin-1-ium

1-methyl-1-prop-1-en-2-ylpiperidin-1-ium (PubChem CID 91801468) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is 1-methyl-1-prop-1-en-2-ylpiperidin-1-ium.

Molecular Properties

Compound Name1-methyl-1-prop-1-en-2-ylpiperidin-1-ium
PubChem CID91801468
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Name1-methyl-1-prop-1-en-2-ylpiperidin-1-ium
SMILESC=C(C)[N+]1(C)CCCCC1
InChIInChI=1S/C9H18N/c1-9(2)10(3)7-5-4-6-8-10/h1,4-8H2,2-3H3/q+1
InChIKeyUMCWEPHURNTPPV-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-prop-1-en-2-ylpiperidin-1-ium?
The IUPAC name of 1-methyl-1-prop-1-en-2-ylpiperidin-1-ium (CID 91801468) is 1-methyl-1-prop-1-en-2-ylpiperidin-1-ium.
What is the SMILES notation for 1-methyl-1-prop-1-en-2-ylpiperidin-1-ium?
The canonical SMILES for 1-methyl-1-prop-1-en-2-ylpiperidin-1-ium is C=C(C)[N+]1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-prop-1-en-2-ylpiperidin-1-ium?
The InChIKey is UMCWEPHURNTPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N/c1-9(2)10(3)7-5-4-6-8-10/h1,4-8H2,2-3H3/q+1.
What are the key properties of 1-methyl-1-prop-1-en-2-ylpiperidin-1-ium?
1-methyl-1-prop-1-en-2-ylpiperidin-1-ium has a molecular weight of 140.25 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-prop-1-en-2-ylpiperidin-1-ium is sourced from PubChem (CID 91801468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).