1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine

C13H26N2 — CID 79444836

IUPAC1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine
SMILESCCC1CN(C(C)CC)C(C2CC2)CN1
InChIInChI=1S/C13H26N2/c1-4-10(3)15-9-12(5-2)14-8-13(15)11-6-7-11/h10-14H,4-9H2,1-3H3
InChIKeyIFPQXOQJKLHHGX-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds4

About 1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine

1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine (PubChem CID 79444836) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine.

Molecular Properties

Compound Name1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine
PubChem CID79444836
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine
SMILESCCC1CN(C(C)CC)C(C2CC2)CN1
InChIInChI=1S/C13H26N2/c1-4-10(3)15-9-12(5-2)14-8-13(15)11-6-7-11/h10-14H,4-9H2,1-3H3
InChIKeyIFPQXOQJKLHHGX-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-yl-5-ethyl-2-methylpiperazine
CID 64931407
5-butan-2-yl-2-cyclopropyl-1-pentan-2-ylpiperazine
CID 114013061
2-cyclopropyl-5-ethyl-1-propylpiperazine
CID 64842143
2-cyclopropyl-1-pentan-2-yl-5-propan-2-ylpiperazine
CID 114013050
5-butan-2-yl-2-cyclopropyl-1-propan-2-ylpiperazine
CID 64849015
1-cyclohexyl-2-cyclopropyl-5-ethylpiperazine
CID 82936170
2-butan-2-yl-5-ethyl-1-pentan-2-ylpiperazine
CID 114013055
1-butan-2-yl-2-cyclopropylpyrrolidine
CID 131083099
2,5-diethyl-1-hexan-2-ylpiperazine
CID 64947739
1-butan-2-yl-2-cyclohexylpiperazine
CID 79444200
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64930178
2,5-diethyl-1-octan-2-ylpiperazine
CID 64946640

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine?
The IUPAC name of 1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine (CID 79444836) is 1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine.
What is the SMILES notation for 1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine?
The canonical SMILES for 1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine is CCC1CN(C(C)CC)C(C2CC2)CN1.
What is the InChIKey of 1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine?
The InChIKey is IFPQXOQJKLHHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-10(3)15-9-12(5-2)14-8-13(15)11-6-7-11/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine?
1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-cyclopropyl-5-ethylpiperazine is sourced from PubChem (CID 79444836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).