5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine

C17H35N3 — CID 114516829

IUPAC5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine
SMILESCCC1CN(CCC2CCN(C)CC2)C(C(C)C)CN1
InChIInChI=1S/C17H35N3/c1-5-16-13-20(17(12-18-16)14(2)3)11-8-15-6-9-19(4)10-7-15/h14-18H,5-13H2,1-4H3
InChIKeyJRPVJFOVWYMFSB-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.43
Rot. Bonds5

About 5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine

5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine (PubChem CID 114516829) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine
PubChem CID114516829
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine
SMILESCCC1CN(CCC2CCN(C)CC2)C(C(C)C)CN1
InChIInChI=1S/C17H35N3/c1-5-16-13-20(17(12-18-16)14(2)3)11-8-15-6-9-19(4)10-7-15/h14-18H,5-13H2,1-4H3
InChIKeyJRPVJFOVWYMFSB-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-[2-(4-methylcyclohexyl)ethyl]-2-propan-2-ylpiperazine
CID 64942232
5-ethyl-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64843674
2-[(5-ethyl-2-propan-2-ylpiperazin-1-yl)methyl]-4-methylmorpholine
CID 79077325
5-ethyl-1-(2-methylsulfonylethyl)-2-propan-2-ylpiperazine
CID 64841740
5-ethyl-2-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine
CID 106732978
5-ethyl-1-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpiperazine
CID 102908491
5-ethyl-1-(3-methylsulfinylpropyl)-2-propan-2-ylpiperazine
CID 113488310
5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008717
1-(3,3-dimethylbutyl)-2-propan-2-yl-5-propylpiperazine
CID 64838194
1-octyl-2-propan-2-yl-5-propylpiperazine
CID 64840134
5-ethyl-1-[(2-methylcyclohexyl)methyl]-2-propan-2-ylpiperazine
CID 64948246
5-ethyl-1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64842706

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine (CID 114516829) is 5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine is CCC1CN(CCC2CCN(C)CC2)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine?
The InChIKey is JRPVJFOVWYMFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-5-16-13-20(17(12-18-16)14(2)3)11-8-15-6-9-19(4)10-7-15/h14-18H,5-13H2,1-4H3.
What are the key properties of 5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine?
5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine has a molecular weight of 281.49 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 114516829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).