1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine

C17H27N3O — CID 58817405

IUPAC1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine
SMILESCCN1CCC(Oc2ccccc2N2CCN(C)CC2)C1
InChIInChI=1S/C17H27N3O/c1-3-19-9-8-15(14-19)21-17-7-5-4-6-16(17)20-12-10-18(2)11-13-20/h4-7,15H,3,8-14H2,1-2H3
InChIKeyFVXOFLCGZCUUCY-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.91
Rot. Bonds4

About 1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine

1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine (PubChem CID 58817405) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine
PubChem CID58817405
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine
SMILESCCN1CCC(Oc2ccccc2N2CCN(C)CC2)C1
InChIInChI=1S/C17H27N3O/c1-3-19-9-8-15(14-19)21-17-7-5-4-6-16(17)20-12-10-18(2)11-13-20/h4-7,15H,3,8-14H2,1-2H3
InChIKeyFVXOFLCGZCUUCY-UHFFFAOYSA-N
XLogP1.91
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylsulfonylpiperidin-3-yl)oxyphenyl]-4-methylpiperazine
CID 58817416
1-ethyl-3-(2-nitrophenoxy)pyrrolidine
CID 68790701
1-[2-[1-(benzenesulfonyl)piperidin-3-yl]oxyphenyl]-4-methylpiperazine
CID 58817434
1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine
CID 57233729
1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
CID 58817389
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693
3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propan-1-amine
CID 15624038
1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine
CID 167238583
cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine
CID 171492437
2-[2-[(3S)-3-(2-methoxyphenoxy)pyrrolidin-1-yl]ethyl]-3,4-dihydroisoquinolin-1-one
CID 134242858
1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride
CID 69440985
6-[4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butyl]benzo[c][1,2]benzothiazine 5,5-dioxide
CID 14497342

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine (CID 58817405) is 1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine is CCN1CCC(Oc2ccccc2N2CCN(C)CC2)C1.
What is the InChIKey of 1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine?
The InChIKey is FVXOFLCGZCUUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-19-9-8-15(14-19)21-17-7-5-4-6-16(17)20-12-10-18(2)11-13-20/h4-7,15H,3,8-14H2,1-2H3.
What are the key properties of 1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine?
1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine has a molecular weight of 289.42 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrrolidin-3-yl)oxyphenyl]-4-methylpiperazine is sourced from PubChem (CID 58817405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).