4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium

C14H30N2O+2 — CID 3048056

IUPAC4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium
SMILESC[N+]1(C)CCC(CC[N+]2(C)CCOCC2)CC1
InChIInChI=1S/C14H30N2O/c1-15(2)7-4-14(5-8-15)6-9-16(3)10-12-17-13-11-16/h14H,4-13H2,1-3H3/q+2
InChIKeyIKXVRBRQGMDSMO-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.34
Rot. Bonds3

About 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium

4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium (PubChem CID 3048056) has the molecular formula C14H30N2O+2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium
PubChem CID3048056
Molecular FormulaC14H30N2O+2
Molecular Weight242.41 g/mol
Exact Mass242.23
IUPAC Name4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium
SMILESC[N+]1(C)CCC(CC[N+]2(C)CCOCC2)CC1
InChIInChI=1S/C14H30N2O/c1-15(2)7-4-14(5-8-15)6-9-16(3)10-12-17-13-11-16/h14H,4-13H2,1-3H3/q+2
InChIKeyIKXVRBRQGMDSMO-UHFFFAOYSA-N
XLogP1.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.34
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 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium?
The IUPAC name of 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium (CID 3048056) is 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium?
The canonical SMILES for 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium is C[N+]1(C)CCC(CC[N+]2(C)CCOCC2)CC1.
What is the InChIKey of 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium?
The InChIKey is IKXVRBRQGMDSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-15(2)7-4-14(5-8-15)6-9-16(3)10-12-17-13-11-16/h14H,4-13H2,1-3H3/q+2.
What are the key properties of 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium?
4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium has a molecular weight of 242.41 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium is sourced from PubChem (CID 3048056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).