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

C18H30N2O — CID 64849307

IUPAC2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1Cc1cccc(OC)c1
InChIInChI=1S/C18H30N2O/c1-5-17-11-19-16(9-14(2)3)13-20(17)12-15-7-6-8-18(10-15)21-4/h6-8,10,14,16-17,19H,5,9,11-13H2,1-4H3
InChIKeyFFNNRPZRNQPCPO-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.29
Rot. Bonds6

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

2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine (PubChem CID 64849307) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
PubChem CID64849307
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
SMILESCCC1CNC(CC(C)C)CN1Cc1cccc(OC)c1
InChIInChI=1S/C18H30N2O/c1-5-17-11-19-16(9-14(2)3)13-20(17)12-15-7-6-8-18(10-15)21-4/h6-8,10,14,16-17,19H,5,9,11-13H2,1-4H3
InChIKeyFFNNRPZRNQPCPO-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

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Related Compounds

2-ethyl-1-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64848535
1-[(3-methoxyphenyl)methyl]-7-methyl-3-(2-methylpropyl)-1,4-diazepane
CID 64871971
2-butan-2-yl-5-ethyl-1-[(3-methoxyphenyl)methyl]piperazine
CID 64841549
2-ethyl-1-[(4-ethylphenyl)methyl]-5-(2-methylpropyl)piperazine
CID 64849498
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-(2-methylpropyl)piperazine
CID 107854191
2-ethyl-1-(4-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64930546
5-(2-methylpropyl)-2-propyl-1-(pyridin-3-ylmethyl)piperazine
CID 64847577
3-[(2,5-diethylpiperazin-1-yl)methyl]benzonitrile
CID 64977771
1-[(3-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844307
1-[(3-chlorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64846770
3-[[2-ethyl-5-(2-methylpropyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 64946354
2-ethyl-1-(2-methoxyphenyl)-5-(2-methylpropyl)piperazine
CID 64932153

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine?
The IUPAC name of 2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine (CID 64849307) is 2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine?
The canonical SMILES for 2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine is CCC1CNC(CC(C)C)CN1Cc1cccc(OC)c1.
What is the InChIKey of 2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine?
The InChIKey is FFNNRPZRNQPCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-17-11-19-16(9-14(2)3)13-20(17)12-15-7-6-8-18(10-15)21-4/h6-8,10,14,16-17,19H,5,9,11-13H2,1-4H3.
What are the key properties of 2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine?
2-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)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-ethyl-1-[(3-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64849307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).