N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine

C15H25N3 — CID 117372136

IUPACN,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine
SMILESCN(C)Cc1cccc(CCN2CCNCC2)c1
InChIInChI=1S/C15H25N3/c1-17(2)13-15-5-3-4-14(12-15)6-9-18-10-7-16-8-11-18/h3-5,12,16H,6-11,13H2,1-2H3
InChIKeyQEZLMGSRJOIOJR-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.20
Rot. Bonds5

About N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine

N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine (PubChem CID 117372136) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine
PubChem CID117372136
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine
SMILESCN(C)Cc1cccc(CCN2CCNCC2)c1
InChIInChI=1S/C15H25N3/c1-17(2)13-15-5-3-4-14(12-15)6-9-18-10-7-16-8-11-18/h3-5,12,16H,6-11,13H2,1-2H3
InChIKeyQEZLMGSRJOIOJR-UHFFFAOYSA-N
XLogP1.20
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
1-[2-fluoro-4-(2-piperazin-1-ylethyl)phenyl]-N,N-dimethylmethanamine
CID 117418093
1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
3-(2-piperazin-1-ylethyl)aniline
CID 82071066
1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine
CID 117389280
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
2-fluoro-N,N-dimethyl-5-(2-piperazin-1-ylethyl)aniline
CID 117111789
2-(3-bromophenyl)-N-methyl-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230425
1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine
CID 117462174
1-[2-(3-cycloheptylphenyl)ethyl]piperazine
CID 117462171
1-[2-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]ethyl]piperazine
CID 117469431

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine (CID 117372136) is N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine is CN(C)Cc1cccc(CCN2CCNCC2)c1.
What is the InChIKey of N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine?
The InChIKey is QEZLMGSRJOIOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-17(2)13-15-5-3-4-14(12-15)6-9-18-10-7-16-8-11-18/h3-5,12,16H,6-11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine?
N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine has a molecular weight of 247.39 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine is sourced from PubChem (CID 117372136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).