N-[3-(4-methylpiperazin-1-yl)propoxy]aniline

C14H23N3O — CID 57146465

IUPACN-[3-(4-methylpiperazin-1-yl)propoxy]aniline
SMILESCN1CCN(CCCONc2ccccc2)CC1
InChIInChI=1S/C14H23N3O/c1-16-9-11-17(12-10-16)8-5-13-18-15-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3
InChIKeyOHFRSFPCEBKQTE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.67
Rot. Bonds6

About N-[3-(4-methylpiperazin-1-yl)propoxy]aniline

N-[3-(4-methylpiperazin-1-yl)propoxy]aniline (PubChem CID 57146465) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propoxy]aniline.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propoxy]aniline
PubChem CID57146465
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propoxy]aniline
SMILESCN1CCN(CCCONc2ccccc2)CC1
InChIInChI=1S/C14H23N3O/c1-16-9-11-17(12-10-16)8-5-13-18-15-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3
InChIKeyOHFRSFPCEBKQTE-UHFFFAOYSA-N
XLogP1.67
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(4-methylpiperazin-1-yl)propoxy]aniline 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-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
1-(3-anilinooxypropyl)pyrrolidin-2-one
CID 87356449
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351
4-[3-(4-methylpiperazin-1-yl)propoxy]aniline
CID 22124604
N-propoxyaniline;hydrochloride
CID 158876543
1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996491

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propoxy]aniline?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propoxy]aniline (CID 57146465) is N-[3-(4-methylpiperazin-1-yl)propoxy]aniline.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propoxy]aniline?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propoxy]aniline is CN1CCN(CCCONc2ccccc2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propoxy]aniline?
The InChIKey is OHFRSFPCEBKQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16-9-11-17(12-10-16)8-5-13-18-15-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3.
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propoxy]aniline?
N-[3-(4-methylpiperazin-1-yl)propoxy]aniline has a molecular weight of 249.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propoxy]aniline is sourced from PubChem (CID 57146465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).