2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine

C19H41N3+2 — CID 3048018

IUPAC2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine
SMILESCC[N+]1(CCN(C)CC[N+]2(CC)CCCCC2)CCCCC1
InChIInChI=1S/C19H41N3/c1-4-21(14-8-6-9-15-21)18-12-20(3)13-19-22(5-2)16-10-7-11-17-22/h4-19H2,1-3H3/q+2
InChIKeyRDVZZNPIPKNDCQ-UHFFFAOYSA-N
MW311.56 g/mol
LogP2.96
Rot. Bonds8

About 2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine

2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine (PubChem CID 3048018) has the molecular formula C19H41N3+2 and a molecular weight of 311.56 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine.

Molecular Properties

Compound Name2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine
PubChem CID3048018
Molecular FormulaC19H41N3+2
Molecular Weight311.56 g/mol
Exact Mass311.33
IUPAC Name2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine
SMILESCC[N+]1(CCN(C)CC[N+]2(CC)CCCCC2)CCCCC1
InChIInChI=1S/C19H41N3/c1-4-21(14-8-6-9-15-21)18-12-20(3)13-19-22(5-2)16-10-7-11-17-22/h4-19H2,1-3H3/q+2
InChIKeyRDVZZNPIPKNDCQ-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 52.96
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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Related Compounds

1,2-Dipiperidinoethane
CID 74733
Piperazine, 1,4-bis(3-piperidinoethyl)-
CID 211252
Dabco-C16
CID 11611423
1-(6-Piperidin-1-ylhexyl)piperidine
CID 23723171
1,1'-(Pentane-1,5-diyl)bis(1-methylpiperidin-1-ium) dibromide
CID 115895
Piperidine, 1,1'-(1,2-ethanediyl)bis-, dihydrochloride
CID 121222
1,6-Dipiperidinohexane
CID 1825862
1,4-Dihexylpiperazine
CID 175408
1,5-Di(1-piperidinyl)pentane
CID 240409
1-Methyl-1-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperidin-1-ium
CID 410381
Piperidinium, 1,1'-(1,4-butanediyl)bis(1-methyl-, diiodide
CID 77424
Piperazinium, 4,4'-decamethylenebis(1-ethyl-1-methyl-, diiodide
CID 198948

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine?
The IUPAC name of 2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine (CID 3048018) is 2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine.
What is the SMILES notation for 2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine?
The canonical SMILES for 2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine is CC[N+]1(CCN(C)CC[N+]2(CC)CCCCC2)CCCCC1.
What is the InChIKey of 2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine?
The InChIKey is RDVZZNPIPKNDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3/c1-4-21(14-8-6-9-15-21)18-12-20(3)13-19-22(5-2)16-10-7-11-17-22/h4-19H2,1-3H3/q+2.
What are the key properties of 2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine?
2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine has a molecular weight of 311.56 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-1-ium-1-yl)-N-[2-(1-ethylpiperidin-1-ium-1-yl)ethyl]-N-methylethanamine is sourced from PubChem (CID 3048018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).