1-chloropropane;1,1-dimethylpiperidin-1-ium

C10H23ClN+ — CID 159746860

IUPAC1-chloropropane;1,1-dimethylpiperidin-1-ium
SMILESCCCCl.C[N+]1(C)CCCCC1
InChIInChI=1S/C7H16N.C3H7Cl/c1-8(2)6-4-3-5-7-8;1-2-3-4/h3-7H2,1-2H3;2-3H2,1H3/q+1;
InChIKeyZPVRSOSYTWMCLL-UHFFFAOYSA-N
MW192.75 g/mol
LogP2.88
Rot. Bonds1

About 1-chloropropane;1,1-dimethylpiperidin-1-ium

1-chloropropane;1,1-dimethylpiperidin-1-ium (PubChem CID 159746860) has the molecular formula C10H23ClN+ and a molecular weight of 192.75 g/mol. Its IUPAC name is 1-chloropropane;1,1-dimethylpiperidin-1-ium.

Molecular Properties

Compound Name1-chloropropane;1,1-dimethylpiperidin-1-ium
PubChem CID159746860
Molecular FormulaC10H23ClN+
Molecular Weight192.75 g/mol
Exact Mass192.15
IUPAC Name1-chloropropane;1,1-dimethylpiperidin-1-ium
SMILESCCCCl.C[N+]1(C)CCCCC1
InChIInChI=1S/C7H16N.C3H7Cl/c1-8(2)6-4-3-5-7-8;1-2-3-4/h3-7H2,1-2H3;2-3H2,1H3/q+1;
InChIKeyZPVRSOSYTWMCLL-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.75
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

cyclopropane;bis(1,1-dimethylpiperidin-1-ium)
CID 67708683
1,1,8,8-tetramethyl-1,8-diazoniacyclotetradecane
CID 158814736
1,1-dimethyl-azoniacycloundecane iodide
CID 121010935
1-ethyl-1,9,9-trimethyl-1,9-diazoniacyclooctadecane
CID 54262537
1,1-dimethylpiperidin-1-ium;ethane;uranium
CID 171513680
1,1-dimethylpyrrolidin-1-ium hydroxide
CID 21468512
pentadecakis(1,1-dimethylpiperidin-1-ium);pentaborate
CID 140523104
1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
CID 160666992
1-chloropentane;cyclooctane
CID 174650189
1,1-dimethylazetidin-1-ium;dihydroiodide
CID 146173684
1,1-dimethylpiperidin-1-ium;1-methylpyrrolidine;tungsten
CID 158402178
1-ethyl-1-methylazepan-1-ium iodide
CID 134896508

Frequently Asked Questions

What is the IUPAC name of 1-chloropropane;1,1-dimethylpiperidin-1-ium?
The IUPAC name of 1-chloropropane;1,1-dimethylpiperidin-1-ium (CID 159746860) is 1-chloropropane;1,1-dimethylpiperidin-1-ium.
What is the SMILES notation for 1-chloropropane;1,1-dimethylpiperidin-1-ium?
The canonical SMILES for 1-chloropropane;1,1-dimethylpiperidin-1-ium is CCCCl.C[N+]1(C)CCCCC1.
What is the InChIKey of 1-chloropropane;1,1-dimethylpiperidin-1-ium?
The InChIKey is ZPVRSOSYTWMCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.C3H7Cl/c1-8(2)6-4-3-5-7-8;1-2-3-4/h3-7H2,1-2H3;2-3H2,1H3/q+1;.
What are the key properties of 1-chloropropane;1,1-dimethylpiperidin-1-ium?
1-chloropropane;1,1-dimethylpiperidin-1-ium has a molecular weight of 192.75 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropane;1,1-dimethylpiperidin-1-ium is sourced from PubChem (CID 159746860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).