1-hexyl-2-propylpiperidin-1-ium chloride

C14H30ClN — CID 171570151

IUPAC1-hexyl-2-propylpiperidin-1-ium chloride
SMILESCCCCCC[NH+]1CCCCC1CCC.[Cl-]
InChIInChI=1S/C14H29N.ClH/c1-3-5-6-8-12-15-13-9-7-11-14(15)10-4-2;/h14H,3-13H2,1-2H3;1H
InChIKeyYNIOCRGXUZFSFX-UHFFFAOYSA-N
MW247.85 g/mol
LogP-0.19
Rot. Bonds7

About 1-hexyl-2-propylpiperidin-1-ium chloride

1-hexyl-2-propylpiperidin-1-ium chloride (PubChem CID 171570151) has the molecular formula C14H30ClN and a molecular weight of 247.85 g/mol. Its IUPAC name is 1-hexyl-2-propylpiperidin-1-ium chloride.

Molecular Properties

Compound Name1-hexyl-2-propylpiperidin-1-ium chloride
PubChem CID171570151
Molecular FormulaC14H30ClN
Molecular Weight247.85 g/mol
Exact Mass247.21
IUPAC Name1-hexyl-2-propylpiperidin-1-ium chloride
SMILESCCCCCC[NH+]1CCCCC1CCC.[Cl-]
InChIInChI=1S/C14H29N.ClH/c1-3-5-6-8-12-15-13-9-7-11-14(15)10-4-2;/h14H,3-13H2,1-2H3;1H
InChIKeyYNIOCRGXUZFSFX-UHFFFAOYSA-N
XLogP-0.19
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.85
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-dodecylpiperidin-1-ium chloride
CID 171570781
methanesulfonate;1-octyl-2-propylpiperidin-1-ium
CID 171570241
2-butyl-1-dodecylpyrrolidin-1-ium chloride
CID 171571110
2-butyl-1-dodecylpiperidin-1-ium cyanide
CID 171571571
2-butyl-1-heptylpyrrolidin-1-ium fluoride
CID 171570289
1-butyl-2-propylpyrrolidin-1-ium fluoride
CID 171571217
1-heptyl-2-propylpiperidin-1-ium;trifluoromethanesulfonate
CID 171615803
2-butyl-1-undecylpiperidin-1-ium acetate
CID 171569825
methanesulfonate;1-pentyl-2-propylpyrrolidin-1-ium
CID 171571169
1-butyl-2-propylpiperidin-1-ium acetate
CID 171570137
2-butyl-1-pentylpiperidin-1-ium;methanesulfonate
CID 171570420
2-butyl-1-pentylpyrrolidin-1-ium cyanide
CID 171570457

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-propylpiperidin-1-ium chloride?
The IUPAC name of 1-hexyl-2-propylpiperidin-1-ium chloride (CID 171570151) is 1-hexyl-2-propylpiperidin-1-ium chloride.
What is the SMILES notation for 1-hexyl-2-propylpiperidin-1-ium chloride?
The canonical SMILES for 1-hexyl-2-propylpiperidin-1-ium chloride is CCCCCC[NH+]1CCCCC1CCC.[Cl-].
What is the InChIKey of 1-hexyl-2-propylpiperidin-1-ium chloride?
The InChIKey is YNIOCRGXUZFSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N.ClH/c1-3-5-6-8-12-15-13-9-7-11-14(15)10-4-2;/h14H,3-13H2,1-2H3;1H.
What are the key properties of 1-hexyl-2-propylpiperidin-1-ium chloride?
1-hexyl-2-propylpiperidin-1-ium chloride has a molecular weight of 247.85 g/mol, XLogP of -0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-propylpiperidin-1-ium chloride is sourced from PubChem (CID 171570151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).