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

C16H31N3 — CID 64937377

IUPAC1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCCC(C)C1CN(C2CCN3CCCC23)C(C)CN1
InChIInChI=1S/C16H31N3/c1-4-12(2)14-11-19(13(3)10-17-14)16-7-9-18-8-5-6-15(16)18/h12-17H,4-11H2,1-3H3
InChIKeyMVXWLCCTSGGJMP-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.93
Rot. Bonds3

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

1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 64937377) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID64937377
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESCCC(C)C1CN(C2CCN3CCCC23)C(C)CN1
InChIInChI=1S/C16H31N3/c1-4-12(2)14-11-19(13(3)10-17-14)16-7-9-18-8-5-6-15(16)18/h12-17H,4-11H2,1-3H3
InChIKeyMVXWLCCTSGGJMP-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine with MolForge

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Related Compounds

1-(5-ethyl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 64946703
5-butan-2-yl-1-cyclobutyl-2-methylpiperazine
CID 64938367
5-butan-2-yl-1-cyclopropyl-2-methylpiperazine
CID 64954275
5-butan-2-yl-2-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954699
5-butan-2-yl-1-(2,2-dimethylcyclopentyl)-2-methylpiperazine
CID 79878573
5-butan-2-yl-2-methyl-1-(2-phenylcyclopropyl)piperazine
CID 64936617
5-butan-2-yl-2-methyl-1-(4-propylcyclohexyl)piperazine
CID 64936600
5-butan-2-yl-1-(2,3-dihydro-1H-inden-2-yl)-2-methylpiperazine
CID 107854034
5-butan-2-yl-1-(2,3-dimethylcyclohexyl)-2-propan-2-ylpiperazine
CID 64953097
3-butan-2-yl-1-(2-methylcyclopentyl)piperazine
CID 64952202
5-butan-2-yl-1-cyclopentyl-2-ethylpiperazine
CID 64954283
5-butan-2-yl-1-(1-methylpiperidin-3-yl)-2-propan-2-ylpiperazine
CID 64936576

Frequently Asked Questions

What is the IUPAC name of 1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 64937377) is 1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is CCC(C)C1CN(C2CCN3CCCC23)C(C)CN1.
What is the InChIKey of 1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is MVXWLCCTSGGJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-12(2)14-11-19(13(3)10-17-14)16-7-9-18-8-5-6-15(16)18/h12-17H,4-11H2,1-3H3.
What are the key properties of 1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 265.44 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butan-2-yl-2-methylpiperazin-1-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 64937377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).