N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine

C17H37N3+2 — CID 3062531

IUPACN-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine
SMILESCN(CC[N+]1(C)CCCCC1)CC[N+]1(C)CCCCC1
InChIInChI=1S/C17H37N3/c1-18(10-16-19(2)12-6-4-7-13-19)11-17-20(3)14-8-5-9-15-20/h4-17H2,1-3H3/q+2
InChIKeyDANKYNUARRZZEB-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.18
Rot. Bonds6

About N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine

N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine (PubChem CID 3062531) has the molecular formula C17H37N3+2 and a molecular weight of 283.50 g/mol. Its IUPAC name is N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine
PubChem CID3062531
Molecular FormulaC17H37N3+2
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine
SMILESCN(CC[N+]1(C)CCCCC1)CC[N+]1(C)CCCCC1
InChIInChI=1S/C17H37N3/c1-18(10-16-19(2)12-6-4-7-13-19)11-17-20(3)14-8-5-9-15-20/h4-17H2,1-3H3/q+2
InChIKeyDANKYNUARRZZEB-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.18
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 N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine?
The IUPAC name of N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine (CID 3062531) is N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine?
The canonical SMILES for N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine is CN(CC[N+]1(C)CCCCC1)CC[N+]1(C)CCCCC1.
What is the InChIKey of N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine?
The InChIKey is DANKYNUARRZZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-18(10-16-19(2)12-6-4-7-13-19)11-17-20(3)14-8-5-9-15-20/h4-17H2,1-3H3/q+2.
What are the key properties of N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine?
N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine has a molecular weight of 283.50 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpiperidin-1-ium-1-yl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]ethanamine is sourced from PubChem (CID 3062531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).