3,3-diethyl-1-(3-methoxyphenyl)piperazine

C15H24N2O — CID 64926809

IUPAC3,3-diethyl-1-(3-methoxyphenyl)piperazine
SMILESCCC1(CC)CN(c2cccc(OC)c2)CCN1
InChIInChI=1S/C15H24N2O/c1-4-15(5-2)12-17(10-9-16-15)13-7-6-8-14(11-13)18-3/h6-8,11,16H,4-5,9-10,12H2,1-3H3
InChIKeyJBLPSAUVEKDKPA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.66
Rot. Bonds4

About 3,3-diethyl-1-(3-methoxyphenyl)piperazine

3,3-diethyl-1-(3-methoxyphenyl)piperazine (PubChem CID 64926809) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3,3-diethyl-1-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name3,3-diethyl-1-(3-methoxyphenyl)piperazine
PubChem CID64926809
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3,3-diethyl-1-(3-methoxyphenyl)piperazine
SMILESCCC1(CC)CN(c2cccc(OC)c2)CCN1
InChIInChI=1S/C15H24N2O/c1-4-15(5-2)12-17(10-9-16-15)13-7-6-8-14(11-13)18-3/h6-8,11,16H,4-5,9-10,12H2,1-3H3
InChIKeyJBLPSAUVEKDKPA-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-diethyl-1-(3-methoxyphenyl)-1,4-diazepane
CID 64945493
3,3-diethyl-1-(3-fluorophenyl)piperazine
CID 64920188
3,3-diethyl-1-(4-methoxy-2-methylphenyl)piperazine
CID 64952388
3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine
CID 64926715
3,3-diethyl-1-[2-(3-methoxyphenyl)ethyl]-1,4-diazepane
CID 107854123
3,3-diethyl-1-(2-methoxyphenyl)piperazine
CID 64918499
1-(3,5-dimethylphenyl)-3,3-diethylpiperazine
CID 64925611
3,3-diethyl-1-(3-propan-2-ylphenyl)-1,4-diazepane
CID 64943529
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-(3-ethoxyphenyl)-3,3-dimethylpiperazine
CID 64952517
1-(4-chlorophenyl)-3,3-diethylpiperazine
CID 64925456
1-(4-bromophenyl)-3,3-diethylpiperazine
CID 64925479

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(3-methoxyphenyl)piperazine?
The IUPAC name of 3,3-diethyl-1-(3-methoxyphenyl)piperazine (CID 64926809) is 3,3-diethyl-1-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 3,3-diethyl-1-(3-methoxyphenyl)piperazine?
The canonical SMILES for 3,3-diethyl-1-(3-methoxyphenyl)piperazine is CCC1(CC)CN(c2cccc(OC)c2)CCN1.
What is the InChIKey of 3,3-diethyl-1-(3-methoxyphenyl)piperazine?
The InChIKey is JBLPSAUVEKDKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-15(5-2)12-17(10-9-16-15)13-7-6-8-14(11-13)18-3/h6-8,11,16H,4-5,9-10,12H2,1-3H3.
What are the key properties of 3,3-diethyl-1-(3-methoxyphenyl)piperazine?
3,3-diethyl-1-(3-methoxyphenyl)piperazine has a molecular weight of 248.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 64926809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).