1-propylpiperidin-1-ium

C8H18N+ — CID 36689403

IUPAC1-propylpiperidin-1-ium
SMILESCCC[NH+]1CCCCC1
InChIInChI=1S/C8H17N/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3/p+1
InChIKeyVTDIWMPYBAVEDY-UHFFFAOYSA-O
MW128.24 g/mol
LogP0.47
Rot. Bonds2

About 1-propylpiperidin-1-ium

1-propylpiperidin-1-ium (PubChem CID 36689403) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is 1-propylpiperidin-1-ium.

Molecular Properties

Compound Name1-propylpiperidin-1-ium
PubChem CID36689403
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Name1-propylpiperidin-1-ium
SMILESCCC[NH+]1CCCCC1
InChIInChI=1S/C8H17N/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3/p+1
InChIKeyVTDIWMPYBAVEDY-UHFFFAOYSA-O
XLogP0.47
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-propylpiperidin-1-ium?
The IUPAC name of 1-propylpiperidin-1-ium (CID 36689403) is 1-propylpiperidin-1-ium.
What is the SMILES notation for 1-propylpiperidin-1-ium?
The canonical SMILES for 1-propylpiperidin-1-ium is CCC[NH+]1CCCCC1.
What is the InChIKey of 1-propylpiperidin-1-ium?
The InChIKey is VTDIWMPYBAVEDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N/c1-2-6-9-7-4-3-5-8-9/h2-8H2,1H3/p+1.
What are the key properties of 1-propylpiperidin-1-ium?
1-propylpiperidin-1-ium has a molecular weight of 128.24 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylpiperidin-1-ium is sourced from PubChem (CID 36689403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).