2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine

C16H27FN4 — CID 63289209

IUPAC2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(Cc2ccc(F)cc2CN)CC1
InChIInChI=1S/C16H27FN4/c1-19(2)5-6-20-7-9-21(10-8-20)13-14-3-4-16(17)11-15(14)12-18/h3-4,11H,5-10,12-13,18H2,1-2H3
InChIKeyCGWJVBKBEIRDJT-UHFFFAOYSA-N
MW294.42 g/mol
LogP0.96
Rot. Bonds6

About 2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 63289209) has the molecular formula C16H27FN4 and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID63289209
Molecular FormulaC16H27FN4
Molecular Weight294.42 g/mol
Exact Mass294.22
IUPAC Name2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(Cc2ccc(F)cc2CN)CC1
InChIInChI=1S/C16H27FN4/c1-19(2)5-6-20-7-9-21(10-8-20)13-14-3-4-16(17)11-15(14)12-18/h3-4,11H,5-10,12-13,18H2,1-2H3
InChIKeyCGWJVBKBEIRDJT-UHFFFAOYSA-N
XLogP0.96
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine (CID 63289209) is 2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(Cc2ccc(F)cc2CN)CC1.
What is the InChIKey of 2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is CGWJVBKBEIRDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN4/c1-19(2)5-6-20-7-9-21(10-8-20)13-14-3-4-16(17)11-15(14)12-18/h3-4,11H,5-10,12-13,18H2,1-2H3.
What are the key properties of 2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 294.42 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 63289209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).