1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C14H27N3 — CID 64946703

IUPAC1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCCC1CN(C2CCN3CCCC23)C(C)CN1
InChIInChI=1S/C14H27N3/c1-3-12-10-17(11(2)9-15-12)14-6-8-16-7-4-5-13(14)16/h11-15H,3-10H2,1-2H3
InChIKeyLZVXYQWZBIWEGE-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.30
Rot. Bonds2

About 1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 64946703) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID64946703
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCCC1CN(C2CCN3CCCC23)C(C)CN1
InChIInChI=1S/C14H27N3/c1-3-12-10-17(11(2)9-15-12)14-6-8-16-7-4-5-13(14)16/h11-15H,3-10H2,1-2H3
InChIKeyLZVXYQWZBIWEGE-UHFFFAOYSA-N
XLogP1.30
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-methyl-1-(2-methylcyclohexyl)piperazine
CID 64932429
1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 64937377
1-(1,3-dimethylpiperidin-4-yl)-5-ethyl-2-methylpiperazine
CID 114506139
5-ethyl-1-(3-ethyl-2-methylcyclopentyl)-2-methylpiperazine
CID 64941684
(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 166931143
3-ethyl-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939389
1-(3,6-dimethyl-1,5-diazocan-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 55118612
5-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)imidazolidin-4-one
CID 83250294
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923618
3-ethyl-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,4-diazaspiro[5.5]undecane
CID 64947281
1-cyclohexyl-2-cyclopropyl-5-ethylpiperazine
CID 82936170
5-ethyl-1-(2-ethylcyclohexyl)-2-propan-2-ylpiperazine
CID 64934196

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 64946703) is 1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CCC1CN(C2CCN3CCCC23)C(C)CN1.
What is the InChIKey of 1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is LZVXYQWZBIWEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-12-10-17(11(2)9-15-12)14-6-8-16-7-4-5-13(14)16/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 237.39 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 64946703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).