5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine

C16H32N2 — CID 114551182

IUPAC5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(C2CCC(C)C2)C(C(C)C)CN1
InChIInChI=1S/C16H32N2/c1-6-16(5)11-18(14-8-7-13(4)9-14)15(10-17-16)12(2)3/h12-15,17H,6-11H2,1-5H3
InChIKeyYTOYKRJEDBMJSF-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.27
Rot. Bonds3

About 5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine

5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine (PubChem CID 114551182) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine
PubChem CID114551182
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine
SMILESCCC1(C)CN(C2CCC(C)C2)C(C(C)C)CN1
InChIInChI=1S/C16H32N2/c1-6-16(5)11-18(14-8-7-13(4)9-14)15(10-17-16)12(2)3/h12-15,17H,6-11H2,1-5H3
InChIKeyYTOYKRJEDBMJSF-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine (CID 114551182) is 5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine is CCC1(C)CN(C2CCC(C)C2)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine?
The InChIKey is YTOYKRJEDBMJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-6-16(5)11-18(14-8-7-13(4)9-14)15(10-17-16)12(2)3/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine?
5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine has a molecular weight of 252.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-1-(3-methylcyclopentyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 114551182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).