1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine

C14H19FN2O2 — CID 117419870

IUPAC1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
SMILESFCc1cc(CCN2CCNCC2)c2c(c1)OCO2
InChIInChI=1S/C14H19FN2O2/c15-9-11-7-12(14-13(8-11)18-10-19-14)1-4-17-5-2-16-3-6-17/h7-8,16H,1-6,9-10H2
InChIKeyLMKPNXKARCKWJI-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.33
Rot. Bonds4

About 1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine

1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine (PubChem CID 117419870) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
PubChem CID117419870
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
SMILESFCc1cc(CCN2CCNCC2)c2c(c1)OCO2
InChIInChI=1S/C14H19FN2O2/c15-9-11-7-12(14-13(8-11)18-10-19-14)1-4-17-5-2-16-3-6-17/h7-8,16H,1-6,9-10H2
InChIKeyLMKPNXKARCKWJI-UHFFFAOYSA-N
XLogP1.33
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine
CID 117374191
1-[2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine
CID 117446437
1-[2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117446444
1-[2-(4-methoxy-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117415471
N-[[6-(fluoromethyl)-1,3-benzodioxol-4-yl]methyl]hydroxylamine
CID 117288214
1-[2-(4-methylsulfonyl-1,3-benzodioxol-5-yl)ethyl]piperazine
CID 117497687
1-[2-(7,8-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]piperazine
CID 117442959
2,4-difluoro-6-(2-piperazin-1-ylethyl)phenol
CID 115006371
1-[2-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperazine
CID 117442969
1-[2-[5-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-8-yl]ethyl]piperazine
CID 117472279
1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994
6-(fluoromethyl)-1,3-benzodioxole-4-sulfonyl chloride
CID 84707691

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine?
The IUPAC name of 1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine (CID 117419870) is 1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine?
The canonical SMILES for 1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine is FCc1cc(CCN2CCNCC2)c2c(c1)OCO2.
What is the InChIKey of 1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine?
The InChIKey is LMKPNXKARCKWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-9-11-7-12(14-13(8-11)18-10-19-14)1-4-17-5-2-16-3-6-17/h7-8,16H,1-6,9-10H2.
What are the key properties of 1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine?
1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine has a molecular weight of 266.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(fluoromethyl)-1,3-benzodioxol-4-yl]ethyl]piperazine is sourced from PubChem (CID 117419870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).