1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine

C15H25N3 — CID 114538247

IUPAC1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1N1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H25N3/c1-11-9-18(10-12(2)17(11)4)15-8-6-5-7-14(15)13(3)16/h5-8,11-13H,9-10,16H2,1-4H3
InChIKeyPUKUPFHNMVNHHF-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.24
Rot. Bonds2

About 1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine

1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine (PubChem CID 114538247) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
PubChem CID114538247
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccccc1N1CC(C)N(C)C(C)C1
InChIInChI=1S/C15H25N3/c1-11-9-18(10-12(2)17(11)4)15-8-6-5-7-14(15)13(3)16/h5-8,11-13H,9-10,16H2,1-4H3
InChIKeyPUKUPFHNMVNHHF-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanamine
CID 115560215
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 104937427
1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 61224430
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
(1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
CID 63368851
(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 103958918
2-[4-[2-[(1S)-1-aminoethyl]phenyl]piperazin-1-yl]ethanol
CID 55189416
(1S)-1-[2-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 78935250
(1R)-1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
CID 79188358
(1S)-1-[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 63533302

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine (CID 114538247) is 1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine is CC(N)c1ccccc1N1CC(C)N(C)C(C)C1.
What is the InChIKey of 1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine?
The InChIKey is PUKUPFHNMVNHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11-9-18(10-12(2)17(11)4)15-8-6-5-7-14(15)13(3)16/h5-8,11-13H,9-10,16H2,1-4H3.
What are the key properties of 1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine?
1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 114538247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).