2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine

C18H30N2O — CID 64841549

IUPAC2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine
SMILESCCC1CN(Cc2cccc(OC)c2)C(C(C)CC)CN1
InChIInChI=1S/C18H30N2O/c1-5-14(3)18-11-19-16(6-2)13-20(18)12-15-8-7-9-17(10-15)21-4/h7-10,14,16,18-19H,5-6,11-13H2,1-4H3
InChIKeyZEACRRNTRIETDB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.29
Rot. Bonds6

About 2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine

2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine (PubChem CID 64841549) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine
PubChem CID64841549
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine
SMILESCCC1CN(Cc2cccc(OC)c2)C(C(C)CC)CN1
InChIInChI=1S/C18H30N2O/c1-5-14(3)18-11-19-16(6-2)13-20(18)12-15-8-7-9-17(10-15)21-4/h7-10,14,16,18-19H,5-6,11-13H2,1-4H3
InChIKeyZEACRRNTRIETDB-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine 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

2-butan-2-yl-1-[(3-chlorophenyl)methyl]-5-ethylpiperazine
CID 64842906
2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849307
1-[(3-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844307
5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine
CID 64932840
1,5-dibenzyl-2-butan-2-ylpiperazine
CID 64850133
1-[(2-bromophenyl)methyl]-2-butan-2-yl-5-ethylpiperazine
CID 64841935
1-[(3,4-dimethylphenyl)methyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64842124
2-butan-2-yl-1-[(2,4-dichlorophenyl)methyl]-5-ethylpiperazine
CID 64843293
2-butan-2-yl-1,5-diethylpiperazine
CID 64842903
1-[(3-methoxyphenyl)methyl]-7-methyl-3-(2-methylpropyl)-1,4-diazepane
CID 64871971
2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine
CID 64862227
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 107854191

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine?
The IUPAC name of 2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine (CID 64841549) is 2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine is CCC1CN(Cc2cccc(OC)c2)C(C(C)CC)CN1.
What is the InChIKey of 2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine?
The InChIKey is ZEACRRNTRIETDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-14(3)18-11-19-16(6-2)13-20(18)12-15-8-7-9-17(10-15)21-4/h7-10,14,16,18-19H,5-6,11-13H2,1-4H3.
What are the key properties of 2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine?
2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine has a molecular weight of 290.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 64841549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).