1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine

C11H22N2 — CID 121477903

IUPAC1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine
SMILESCCN1CCN(CC2CC2C)CC1
InChIInChI=1S/C11H22N2/c1-3-12-4-6-13(7-5-12)9-11-8-10(11)2/h10-11H,3-9H2,1-2H3
InChIKeyBESQBWXXWBBYPL-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.28
Rot. Bonds3

About 1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine

1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine (PubChem CID 121477903) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine
PubChem CID121477903
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine
SMILESCCN1CCN(CC2CC2C)CC1
InChIInChI=1S/C11H22N2/c1-3-12-4-6-13(7-5-12)9-11-8-10(11)2/h10-11H,3-9H2,1-2H3
InChIKeyBESQBWXXWBBYPL-UHFFFAOYSA-N
XLogP1.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine (CID 121477903) is 1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine is CCN1CCN(CC2CC2C)CC1.
What is the InChIKey of 1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine?
The InChIKey is BESQBWXXWBBYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-12-4-6-13(7-5-12)9-11-8-10(11)2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine?
1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine has a molecular weight of 182.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2-methylcyclopropyl)methyl]piperazine is sourced from PubChem (CID 121477903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).