1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine

C17H27N3O — CID 58817389

IUPAC1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
SMILESCN1CCN(c2ccccc2OCCN2CCCC2)CC1
InChIInChI=1S/C17H27N3O/c1-18-10-12-20(13-11-18)16-6-2-3-7-17(16)21-15-14-19-8-4-5-9-19/h2-3,6-7H,4-5,8-15H2,1H3
InChIKeyJVYXIIUISYBFPX-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.91
Rot. Bonds5

About 1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine

1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine (PubChem CID 58817389) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
PubChem CID58817389
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
SMILESCN1CCN(c2ccccc2OCCN2CCCC2)CC1
InChIInChI=1S/C17H27N3O/c1-18-10-12-20(13-11-18)16-6-2-3-7-17(16)21-15-14-19-8-4-5-9-19/h2-3,6-7H,4-5,8-15H2,1H3
InChIKeyJVYXIIUISYBFPX-UHFFFAOYSA-N
XLogP1.91
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
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CID 58996693
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
1-(2-butoxyphenyl)pyrrolidine
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1-methyl-4-[2-[6-(4-phenylpiperidin-1-yl)hexoxy]phenyl]piperazine
CID 57233729
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996491
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
CID 58154732
2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 43532589
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine?
The IUPAC name of 1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine (CID 58817389) is 1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine is CN1CCN(c2ccccc2OCCN2CCCC2)CC1.
What is the InChIKey of 1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine?
The InChIKey is JVYXIIUISYBFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-18-10-12-20(13-11-18)16-6-2-3-7-17(16)21-15-14-19-8-4-5-9-19/h2-3,6-7H,4-5,8-15H2,1H3.
What are the key properties of 1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine?
1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine has a molecular weight of 289.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine is sourced from PubChem (CID 58817389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).