1-prop-2-enyl-1-propylpiperidin-1-ium

C11H22N+ — CID 68590517

IUPAC1-prop-2-enyl-1-propylpiperidin-1-ium
SMILESC=CC[N+]1(CCC)CCCCC1
InChIInChI=1S/C11H22N/c1-3-8-12(9-4-2)10-6-5-7-11-12/h3H,1,4-11H2,2H3/q+1
InChIKeyQROMKCMLXPRCDU-UHFFFAOYSA-N
MW168.30 g/mol
LogP2.58
Rot. Bonds4

About 1-prop-2-enyl-1-propylpiperidin-1-ium

1-prop-2-enyl-1-propylpiperidin-1-ium (PubChem CID 68590517) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is 1-prop-2-enyl-1-propylpiperidin-1-ium.

Molecular Properties

Compound Name1-prop-2-enyl-1-propylpiperidin-1-ium
PubChem CID68590517
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Name1-prop-2-enyl-1-propylpiperidin-1-ium
SMILESC=CC[N+]1(CCC)CCCCC1
InChIInChI=1S/C11H22N/c1-3-8-12(9-4-2)10-6-5-7-11-12/h3H,1,4-11H2,2H3/q+1
InChIKeyQROMKCMLXPRCDU-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 52.58
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-prop-2-enyl-1-propylpiperidin-1-ium?
The IUPAC name of 1-prop-2-enyl-1-propylpiperidin-1-ium (CID 68590517) is 1-prop-2-enyl-1-propylpiperidin-1-ium.
What is the SMILES notation for 1-prop-2-enyl-1-propylpiperidin-1-ium?
The canonical SMILES for 1-prop-2-enyl-1-propylpiperidin-1-ium is C=CC[N+]1(CCC)CCCCC1.
What is the InChIKey of 1-prop-2-enyl-1-propylpiperidin-1-ium?
The InChIKey is QROMKCMLXPRCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N/c1-3-8-12(9-4-2)10-6-5-7-11-12/h3H,1,4-11H2,2H3/q+1.
What are the key properties of 1-prop-2-enyl-1-propylpiperidin-1-ium?
1-prop-2-enyl-1-propylpiperidin-1-ium has a molecular weight of 168.30 g/mol, XLogP of 2.58, 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-propylpiperidin-1-ium is sourced from PubChem (CID 68590517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).