1-propan-2-ylpiperidin-1-ium

C8H18N+ — CID 23277982

IUPAC1-propan-2-ylpiperidin-1-ium
SMILESCC(C)[NH+]1CCCCC1
InChIInChI=1S/C8H17N/c1-8(2)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3/p+1
InChIKeyKXIXHISTUVHOCY-UHFFFAOYSA-O
MW128.24 g/mol
LogP0.46
Rot. Bonds1

About 1-propan-2-ylpiperidin-1-ium

1-propan-2-ylpiperidin-1-ium (PubChem CID 23277982) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is 1-propan-2-ylpiperidin-1-ium.

Molecular Properties

Compound Name1-propan-2-ylpiperidin-1-ium
PubChem CID23277982
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Name1-propan-2-ylpiperidin-1-ium
SMILESCC(C)[NH+]1CCCCC1
InChIInChI=1S/C8H17N/c1-8(2)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3/p+1
InChIKeyKXIXHISTUVHOCY-UHFFFAOYSA-O
XLogP0.46
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpiperidin-1-ium?
The IUPAC name of 1-propan-2-ylpiperidin-1-ium (CID 23277982) is 1-propan-2-ylpiperidin-1-ium.
What is the SMILES notation for 1-propan-2-ylpiperidin-1-ium?
The canonical SMILES for 1-propan-2-ylpiperidin-1-ium is CC(C)[NH+]1CCCCC1.
What is the InChIKey of 1-propan-2-ylpiperidin-1-ium?
The InChIKey is KXIXHISTUVHOCY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17N/c1-8(2)9-6-4-3-5-7-9/h8H,3-7H2,1-2H3/p+1.
What are the key properties of 1-propan-2-ylpiperidin-1-ium?
1-propan-2-ylpiperidin-1-ium has a molecular weight of 128.24 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpiperidin-1-ium is sourced from PubChem (CID 23277982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).