1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine

C15H25N3 — CID 82166048

IUPAC1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine
SMILESCCN1CCN(Cc2ccc(C(C)N)cc2)CC1
InChIInChI=1S/C15H25N3/c1-3-17-8-10-18(11-9-17)12-14-4-6-15(7-5-14)13(2)16/h4-7,13H,3,8-12,16H2,1-2H3
InChIKeyOCAKQAUTXLFBEU-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.84
Rot. Bonds4

About 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine

1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine (PubChem CID 82166048) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine
PubChem CID82166048
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine
SMILESCCN1CCN(Cc2ccc(C(C)N)cc2)CC1
InChIInChI=1S/C15H25N3/c1-3-17-8-10-18(11-9-17)12-14-4-6-15(7-5-14)13(2)16/h4-7,13H,3,8-12,16H2,1-2H3
InChIKeyOCAKQAUTXLFBEU-UHFFFAOYSA-N
XLogP1.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine 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-ethyl-4-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperazine
CID 153390717
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860556
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)phenyl]ethanamine
CID 123984237
3-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbutanamide;trihydrochloride
CID 120504393
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
N,N-diethyl-4-[(4-ethylpiperazin-1-yl)methyl]aniline
CID 782564
ethane;1-ethyl-4-[[4-(methoxymethyl)phenyl]methyl]piperazine
CID 155582592
[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]boronic acid
CID 54971095
1-[(4-cyclohexylphenyl)methyl]-4-ethylpiperazine
CID 166366973
tert-butyl formate;1-[4-(piperazin-1-ylmethyl)phenyl]ethanamine
CID 174941750

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine?
The IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine (CID 82166048) is 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine?
The canonical SMILES for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine is CCN1CCN(Cc2ccc(C(C)N)cc2)CC1.
What is the InChIKey of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine?
The InChIKey is OCAKQAUTXLFBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-17-8-10-18(11-9-17)12-14-4-6-15(7-5-14)13(2)16/h4-7,13H,3,8-12,16H2,1-2H3.
What are the key properties of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine?
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 82166048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).