1-decyl-1-propylpiperidin-1-ium

C18H38N+ — CID 171570313

IUPAC1-decyl-1-propylpiperidin-1-ium
SMILESCCCCCCCCCC[N+]1(CCC)CCCCC1
InChIInChI=1S/C18H38N/c1-3-5-6-7-8-9-10-12-16-19(15-4-2)17-13-11-14-18-19/h3-18H2,1-2H3/q+1
InChIKeyZMQUNXFMGPQDOT-UHFFFAOYSA-N
MW268.51 g/mol
LogP5.54
Rot. Bonds11

About 1-decyl-1-propylpiperidin-1-ium

1-decyl-1-propylpiperidin-1-ium (PubChem CID 171570313) has the molecular formula C18H38N+ and a molecular weight of 268.51 g/mol. Its IUPAC name is 1-decyl-1-propylpiperidin-1-ium.

Molecular Properties

Compound Name1-decyl-1-propylpiperidin-1-ium
PubChem CID171570313
Molecular FormulaC18H38N+
Molecular Weight268.51 g/mol
Exact Mass268.30
IUPAC Name1-decyl-1-propylpiperidin-1-ium
SMILESCCCCCCCCCC[N+]1(CCC)CCCCC1
InChIInChI=1S/C18H38N/c1-3-5-6-7-8-9-10-12-16-19(15-4-2)17-13-11-14-18-19/h3-18H2,1-2H3/q+1
InChIKeyZMQUNXFMGPQDOT-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.51
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-octadecyl-1-propylpyrrolidin-1-ium
CID 69390349
1-nonyl-1-propylpyrrolidin-1-ium fluoride
CID 171570761
1,1-dioctylpiperidin-1-ium
CID 23148538
1-dodecyl-1-octylpiperidin-1-ium
CID 172831286
1-heptadecyl-1-octadecylpyrrolidin-1-ium
CID 69389776
1-hexadecyl-1-pentadecylpyrrolidin-1-ium
CID 69388333
1-propyl-1-[6-(1-propylpyrrolidin-1-ium-1-yl)hexyl]pyrrolidin-1-ium
CID 71247353
1-heptyl-1-undecylpyrrolidin-1-ium
CID 69393872
1-octadecyl-1-[4-(1-octadecylpyrrolidin-1-ium-1-yl)butyl]pyrrolidin-1-ium
CID 122216104
1-nonadecyl-1-octadecylpyrrolidin-1-ium
CID 69388372
1-dodecyl-1-pentylpyrrolidin-1-ium
CID 69392906
1,1-di(nonadecyl)pyrrolidin-1-ium
CID 69397839

Frequently Asked Questions

What is the IUPAC name of 1-decyl-1-propylpiperidin-1-ium?
The IUPAC name of 1-decyl-1-propylpiperidin-1-ium (CID 171570313) is 1-decyl-1-propylpiperidin-1-ium.
What is the SMILES notation for 1-decyl-1-propylpiperidin-1-ium?
The canonical SMILES for 1-decyl-1-propylpiperidin-1-ium is CCCCCCCCCC[N+]1(CCC)CCCCC1.
What is the InChIKey of 1-decyl-1-propylpiperidin-1-ium?
The InChIKey is ZMQUNXFMGPQDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N/c1-3-5-6-7-8-9-10-12-16-19(15-4-2)17-13-11-14-18-19/h3-18H2,1-2H3/q+1.
What are the key properties of 1-decyl-1-propylpiperidin-1-ium?
1-decyl-1-propylpiperidin-1-ium has a molecular weight of 268.51 g/mol, XLogP of 5.54, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-1-propylpiperidin-1-ium is sourced from PubChem (CID 171570313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).