1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine

C18H36N4 — CID 167265161

IUPAC1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
SMILESCCC1CCN(CCN2CCN(C3CCN(C)CC3)CC2)C1
InChIInChI=1S/C18H36N4/c1-3-17-4-9-21(16-17)11-10-20-12-14-22(15-13-20)18-5-7-19(2)8-6-18/h17-18H,3-16H2,1-2H3
InChIKeyHYOXHIVUIHPYOU-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.43
Rot. Bonds5

About 1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine

1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine (PubChem CID 167265161) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
PubChem CID167265161
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
SMILESCCC1CCN(CCN2CCN(C3CCN(C)CC3)CC2)C1
InChIInChI=1S/C18H36N4/c1-3-17-4-9-21(16-17)11-10-20-12-14-22(15-13-20)18-5-7-19(2)8-6-18/h17-18H,3-16H2,1-2H3
InChIKeyHYOXHIVUIHPYOU-UHFFFAOYSA-N
XLogP1.43
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine
CID 167265160
1-[3-(4-ethylcyclohexyl)propyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 166946013
1-(1-methylpiperidin-4-yl)-4-[(1-propylazetidin-3-yl)methyl]piperazine
CID 165136754
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 82885892
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine
CID 161292212
2-methyl-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 167091235
ethane;4-ethyl-1-[1-(2-methoxyethyl)piperidin-4-yl]piperidine
CID 170586343
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
3-(3-ethylazetidin-1-yl)-1-methylpyrrolidine
CID 164846501

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine?
The IUPAC name of 1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine (CID 167265161) is 1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine is CCC1CCN(CCN2CCN(C3CCN(C)CC3)CC2)C1.
What is the InChIKey of 1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine?
The InChIKey is HYOXHIVUIHPYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4/c1-3-17-4-9-21(16-17)11-10-20-12-14-22(15-13-20)18-5-7-19(2)8-6-18/h17-18H,3-16H2,1-2H3.
What are the key properties of 1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine?
1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine has a molecular weight of 308.51 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine is sourced from PubChem (CID 167265161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).