[3-(2-piperazin-1-ylethoxy)phenyl]methanamine

C13H21N3O — CID 143132043

IUPAC[3-(2-piperazin-1-ylethoxy)phenyl]methanamine
SMILESNCc1cccc(OCCN2CCNCC2)c1
InChIInChI=1S/C13H21N3O/c14-11-12-2-1-3-13(10-12)17-9-8-16-6-4-15-5-7-16/h1-3,10,15H,4-9,11,14H2
InChIKeyKXMCCGLDSPCRAO-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.43
Rot. Bonds5

About [3-(2-piperazin-1-ylethoxy)phenyl]methanamine

[3-(2-piperazin-1-ylethoxy)phenyl]methanamine (PubChem CID 143132043) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [3-(2-piperazin-1-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-piperazin-1-ylethoxy)phenyl]methanamine
PubChem CID143132043
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[3-(2-piperazin-1-ylethoxy)phenyl]methanamine
SMILESNCc1cccc(OCCN2CCNCC2)c1
InChIInChI=1S/C13H21N3O/c14-11-12-2-1-3-13(10-12)17-9-8-16-6-4-15-5-7-16/h1-3,10,15H,4-9,11,14H2
InChIKeyKXMCCGLDSPCRAO-UHFFFAOYSA-N
XLogP0.43
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253311
2-[3-(3-piperazin-1-ylpropoxy)phenyl]acetaldehyde
CID 142892985
[3-[2-(4-methylazepan-1-yl)ethoxy]phenyl]methanamine
CID 63623878
[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253572
1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678030
[3-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]phenyl]methanamine
CID 43253676
1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
CID 2944385
1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
CID 4279742
[4-[2-[3-(aminomethyl)phenoxy]ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932263
[1-[2-[3-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778067
1-(3-phenoxypropyl)piperazine
CID 2760351
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373

Frequently Asked Questions

What is the IUPAC name of [3-(2-piperazin-1-ylethoxy)phenyl]methanamine?
The IUPAC name of [3-(2-piperazin-1-ylethoxy)phenyl]methanamine (CID 143132043) is [3-(2-piperazin-1-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-(2-piperazin-1-ylethoxy)phenyl]methanamine?
The canonical SMILES for [3-(2-piperazin-1-ylethoxy)phenyl]methanamine is NCc1cccc(OCCN2CCNCC2)c1.
What is the InChIKey of [3-(2-piperazin-1-ylethoxy)phenyl]methanamine?
The InChIKey is KXMCCGLDSPCRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-11-12-2-1-3-13(10-12)17-9-8-16-6-4-15-5-7-16/h1-3,10,15H,4-9,11,14H2.
What are the key properties of [3-(2-piperazin-1-ylethoxy)phenyl]methanamine?
[3-(2-piperazin-1-ylethoxy)phenyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-piperazin-1-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 143132043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).