ethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium

C14H31N2+ — CID 162721105

IUPACethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium
SMILESCC[N+](C)(C)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H31N2/c1-9-16(7,8)12-10-13(2,3)15(6)14(4,5)11-12/h12H,9-11H2,1-8H3/q+1
InChIKeyQMWZIEZIKHDHGH-UHFFFAOYSA-N
MW227.42 g/mol
LogP2.73
Rot. Bonds2

About ethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium

ethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium (PubChem CID 162721105) has the molecular formula C14H31N2+ and a molecular weight of 227.42 g/mol. Its IUPAC name is ethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium
PubChem CID162721105
Molecular FormulaC14H31N2+
Molecular Weight227.42 g/mol
Exact Mass227.25
IUPAC Nameethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium
SMILESCC[N+](C)(C)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C14H31N2/c1-9-16(7,8)12-10-13(2,3)15(6)14(4,5)11-12/h12H,9-11H2,1-8H3/q+1
InChIKeyQMWZIEZIKHDHGH-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium?
The IUPAC name of ethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium (CID 162721105) is ethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium.
What is the SMILES notation for ethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium?
The canonical SMILES for ethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium is CC[N+](C)(C)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of ethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium?
The InChIKey is QMWZIEZIKHDHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N2/c1-9-16(7,8)12-10-13(2,3)15(6)14(4,5)11-12/h12H,9-11H2,1-8H3/q+1.
What are the key properties of ethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium?
ethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium has a molecular weight of 227.42 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)azanium is sourced from PubChem (CID 162721105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).