1,2-dimethyl-1-propylpiperidin-1-ium bromide

C10H22BrN — CID 66624879

IUPAC1,2-dimethyl-1-propylpiperidin-1-ium bromide
SMILESCCC[N+]1(C)CCCCC1C.[Br-]
InChIInChI=1S/C10H22N.BrH/c1-4-8-11(3)9-6-5-7-10(11)2;/h10H,4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyKPUJFYXFZGLQEO-UHFFFAOYSA-M
MW236.20 g/mol
LogP-0.58
Rot. Bonds2

About 1,2-dimethyl-1-propylpiperidin-1-ium bromide

1,2-dimethyl-1-propylpiperidin-1-ium bromide (PubChem CID 66624879) has the molecular formula C10H22BrN and a molecular weight of 236.20 g/mol. Its IUPAC name is 1,2-dimethyl-1-propylpiperidin-1-ium bromide.

Molecular Properties

Compound Name1,2-dimethyl-1-propylpiperidin-1-ium bromide
PubChem CID66624879
Molecular FormulaC10H22BrN
Molecular Weight236.20 g/mol
Exact Mass235.09
IUPAC Name1,2-dimethyl-1-propylpiperidin-1-ium bromide
SMILESCCC[N+]1(C)CCCCC1C.[Br-]
InChIInChI=1S/C10H22N.BrH/c1-4-8-11(3)9-6-5-7-10(11)2;/h10H,4-9H2,1-3H3;1H/q+1;/p-1
InChIKeyKPUJFYXFZGLQEO-UHFFFAOYSA-M
XLogP-0.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 5-0.58
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 1,2-dimethyl-1-propylpiperidin-1-ium bromide?
The IUPAC name of 1,2-dimethyl-1-propylpiperidin-1-ium bromide (CID 66624879) is 1,2-dimethyl-1-propylpiperidin-1-ium bromide.
What is the SMILES notation for 1,2-dimethyl-1-propylpiperidin-1-ium bromide?
The canonical SMILES for 1,2-dimethyl-1-propylpiperidin-1-ium bromide is CCC[N+]1(C)CCCCC1C.[Br-].
What is the InChIKey of 1,2-dimethyl-1-propylpiperidin-1-ium bromide?
The InChIKey is KPUJFYXFZGLQEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22N.BrH/c1-4-8-11(3)9-6-5-7-10(11)2;/h10H,4-9H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 1,2-dimethyl-1-propylpiperidin-1-ium bromide?
1,2-dimethyl-1-propylpiperidin-1-ium bromide has a molecular weight of 236.20 g/mol, XLogP of -0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-propylpiperidin-1-ium bromide is sourced from PubChem (CID 66624879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).