1-methyl-2-propylpiperidin-1-ium cyanide

C10H20N2 — CID 171570240

IUPAC1-methyl-2-propylpiperidin-1-ium cyanide
SMILESCCCC1CCCC[NH+]1C.[C-]#N
InChIInChI=1S/C9H19N.CN/c1-3-6-9-7-4-5-8-10(9)2;1-2/h9H,3-8H2,1-2H3;/q;-1/p+1
InChIKeyGWHZZJQYJNDACG-UHFFFAOYSA-O
MW168.28 g/mol
LogP0.95
Rot. Bonds2

About 1-methyl-2-propylpiperidin-1-ium cyanide

1-methyl-2-propylpiperidin-1-ium cyanide (PubChem CID 171570240) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methyl-2-propylpiperidin-1-ium cyanide.

Molecular Properties

Compound Name1-methyl-2-propylpiperidin-1-ium cyanide
PubChem CID171570240
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-methyl-2-propylpiperidin-1-ium cyanide
SMILESCCCC1CCCC[NH+]1C.[C-]#N
InChIInChI=1S/C9H19N.CN/c1-3-6-9-7-4-5-8-10(9)2;1-2/h9H,3-8H2,1-2H3;/q;-1/p+1
InChIKeyGWHZZJQYJNDACG-UHFFFAOYSA-O
XLogP0.95
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propylpiperidin-1-ium cyanide?
The IUPAC name of 1-methyl-2-propylpiperidin-1-ium cyanide (CID 171570240) is 1-methyl-2-propylpiperidin-1-ium cyanide.
What is the SMILES notation for 1-methyl-2-propylpiperidin-1-ium cyanide?
The canonical SMILES for 1-methyl-2-propylpiperidin-1-ium cyanide is CCCC1CCCC[NH+]1C.[C-]#N.
What is the InChIKey of 1-methyl-2-propylpiperidin-1-ium cyanide?
The InChIKey is GWHZZJQYJNDACG-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19N.CN/c1-3-6-9-7-4-5-8-10(9)2;1-2/h9H,3-8H2,1-2H3;/q;-1/p+1.
What are the key properties of 1-methyl-2-propylpiperidin-1-ium cyanide?
1-methyl-2-propylpiperidin-1-ium cyanide has a molecular weight of 168.28 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propylpiperidin-1-ium cyanide is sourced from PubChem (CID 171570240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).