[4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine

C17H29N3O — CID 63604530

IUPAC[4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine
SMILESCCN1CCN(CCCOc2ccc(CN)cc2)CC1C
InChIInChI=1S/C17H29N3O/c1-3-20-11-10-19(14-15(20)2)9-4-12-21-17-7-5-16(13-18)6-8-17/h5-8,15H,3-4,9-14,18H2,1-2H3
InChIKeyXCVVDRORVGSFKZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.94
Rot. Bonds7

About [4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine

[4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine (PubChem CID 63604530) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is [4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine
PubChem CID63604530
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name[4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine
SMILESCCN1CCN(CCCOc2ccc(CN)cc2)CC1C
InChIInChI=1S/C17H29N3O/c1-3-20-11-10-19(14-15(20)2)9-4-12-21-17-7-5-16(13-18)6-8-17/h5-8,15H,3-4,9-14,18H2,1-2H3
InChIKeyXCVVDRORVGSFKZ-UHFFFAOYSA-N
XLogP1.94
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine 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

4-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]benzonitrile
CID 63610370
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]methanamine
CID 115559167
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline
CID 115342123
[4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 114592329
1-[3-[4-(aminomethyl)phenoxy]propyl]-4-methylpiperidin-4-ol
CID 81098070
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167098
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166233
(2R)-1-(2-methoxyethyl)-4-[2-(4-methoxyphenoxy)ethyl]-2-methylpiperazine
CID 95350389
[4-[2-(2-ethylmorpholin-4-yl)ethoxy]phenyl]methanamine
CID 43562361
1-[2-[4-(aminomethyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943937

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine?
The IUPAC name of [4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine (CID 63604530) is [4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine.
What is the SMILES notation for [4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine?
The canonical SMILES for [4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine is CCN1CCN(CCCOc2ccc(CN)cc2)CC1C.
What is the InChIKey of [4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine?
The InChIKey is XCVVDRORVGSFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-20-11-10-19(14-15(20)2)9-4-12-21-17-7-5-16(13-18)6-8-17/h5-8,15H,3-4,9-14,18H2,1-2H3.
What are the key properties of [4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine?
[4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine has a molecular weight of 291.44 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-ethyl-3-methylpiperazin-1-yl)propoxy]phenyl]methanamine is sourced from PubChem (CID 63604530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).