4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium

C12H26N+ — CID 90954061

IUPAC4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium
SMILESCCCC1(CC)CC[N+](C)(C)CC1
InChIInChI=1S/C12H26N/c1-5-7-12(6-2)8-10-13(3,4)11-9-12/h5-11H2,1-4H3/q+1
InChIKeyLALXTBXLIFTHOL-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.05
Rot. Bonds3

About 4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium

4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium (PubChem CID 90954061) has the molecular formula C12H26N+ and a molecular weight of 184.35 g/mol. Its IUPAC name is 4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium.

Molecular Properties

Compound Name4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium
PubChem CID90954061
Molecular FormulaC12H26N+
Molecular Weight184.35 g/mol
Exact Mass184.21
IUPAC Name4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium
SMILESCCCC1(CC)CC[N+](C)(C)CC1
InChIInChI=1S/C12H26N/c1-5-7-12(6-2)8-10-13(3,4)11-9-12/h5-11H2,1-4H3/q+1
InChIKeyLALXTBXLIFTHOL-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.05
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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Related Compounds

ethane;1-ethyl-1-propylcyclopropane;propane
CID 177054904
1-ethyl-1-propylcyclobutane
CID 58586108
4-ethyl-4-propyloxane
CID 142221834
4-ethyl-4-propylcyclohexan-1-ol
CID 91476830
1-ethyl-1-propylcyclopentane;3-methylbut-3-en-2-one
CID 144910534
ethane;1-ethyl-1-hexylcyclopropane
CID 143025428
(1-propylcyclopropyl)methanol
CID 66026334
4-butyl-4-ethyloxane
CID 89395620
(3S)-3-ethyl-3-propylcyclohexan-1-one
CID 131089811
CID 174093859
CID 174093859
(3R)-3-ethyl-3-propylcyclohexan-1-one
CID 121217390
1-(bromomethyl)-1-propylcyclobutane
CID 66050850

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium?
The IUPAC name of 4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium (CID 90954061) is 4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium.
What is the SMILES notation for 4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium?
The canonical SMILES for 4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium is CCCC1(CC)CC[N+](C)(C)CC1.
What is the InChIKey of 4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium?
The InChIKey is LALXTBXLIFTHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N/c1-5-7-12(6-2)8-10-13(3,4)11-9-12/h5-11H2,1-4H3/q+1.
What are the key properties of 4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium?
4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium has a molecular weight of 184.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1-dimethyl-4-propylpiperidin-1-ium is sourced from PubChem (CID 90954061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).