1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine

C22H27FN2O3 — CID 67457316

IUPAC1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
SMILESFc1ccccc1OCCN1CCN(CCCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H27FN2O3/c23-19-5-1-2-6-20(19)26-15-14-25-12-10-24(11-13-25)9-3-4-18-7-8-21-22(16-18)28-17-27-21/h1-2,5-8,16H,3-4,9-15,17H2
InChIKeyMENFQFWPHJJPKP-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.18
Rot. Bonds8

About 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine

1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine (PubChem CID 67457316) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
PubChem CID67457316
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
SMILESFc1ccccc1OCCN1CCN(CCCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C22H27FN2O3/c23-19-5-1-2-6-20(19)26-15-14-25-12-10-24(11-13-25)9-3-4-18-7-8-21-22(16-18)28-17-27-21/h1-2,5-8,16H,3-4,9-15,17H2
InChIKeyMENFQFWPHJJPKP-UHFFFAOYSA-N
XLogP3.18
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Zamifenacin
CID 3086618
1,3-Pentadiene, 1-(3,4-methylenedioxybenzyl)-5-(piperidine-1-yl)-
CID 5370189
Piperazine, 1-(3,4-methylenedioxybenzyl)-4-(3-phenylallyl)-, (E)-
CID 792793
1-(1,3-Benzodioxol-5-ylmethyl)-4-(4-fluorobenzyl)piperazine
CID 704431
1-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(3-phenylpropyl)piperazine
CID 57733049
1-[2-[4-(2-Fluoroethoxy)-3-methoxyphenyl]ethyl]-4-(3-phenylpropyl)piperazine
CID 78184573
2-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine
CID 44574782
1-(2-Allylphenoxy)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propan-2-ol
CID 6602933
1-[3-[4-(1,3-Benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
1-[2-[4-(2-Fluoroethoxy)-3-methoxyphenyl]ethyl]-4-[3-(4-fluorophenyl)propyl]piperazine
CID 57395641
1-(1,3-Benzodioxol-5-ylmethyl)-4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazine
CID 71508714
1-(1,3-Benzodioxol-5-ylmethyl)-4-[[4-[2-(2-fluoroethoxy)ethoxy]phenyl]methyl]piperazine
CID 71508741

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine?
The IUPAC name of 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine (CID 67457316) is 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine.
What is the SMILES notation for 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine?
The canonical SMILES for 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine is Fc1ccccc1OCCN1CCN(CCCc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine?
The InChIKey is MENFQFWPHJJPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c23-19-5-1-2-6-20(19)26-15-14-25-12-10-24(11-13-25)9-3-4-18-7-8-21-22(16-18)28-17-27-21/h1-2,5-8,16H,3-4,9-15,17H2.
What are the key properties of 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine?
1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine has a molecular weight of 386.47 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine is sourced from PubChem (CID 67457316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).