4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine

C20H29N5O — CID 68626819

IUPAC4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine
SMILESCOc1ccccc1N1CCN(CCCNc2ccc(N)c(N)c2)CC1
InChIInChI=1S/C20H29N5O/c1-26-20-6-3-2-5-19(20)25-13-11-24(12-14-25)10-4-9-23-16-7-8-17(21)18(22)15-16/h2-3,5-8,15,23H,4,9-14,21-22H2,1H3
InChIKeyNKOPYHOOSMRQML-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.48
Rot. Bonds7

About 4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine

4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine (PubChem CID 68626819) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine
PubChem CID68626819
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine
SMILESCOc1ccccc1N1CCN(CCCNc2ccc(N)c(N)c2)CC1
InChIInChI=1S/C20H29N5O/c1-26-20-6-3-2-5-19(20)25-13-11-24(12-14-25)10-4-9-23-16-7-8-17(21)18(22)15-16/h2-3,5-8,15,23H,4,9-14,21-22H2,1H3
InChIKeyNKOPYHOOSMRQML-UHFFFAOYSA-N
XLogP2.48
TPSA79.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine 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

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine
CID 56597366
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-thiazol-2-amine
CID 89427881
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
hydroxy-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,4-dioxonaphthalen-2-yl]azanium
CID 143764643
2-tert-butyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]pyridazin-3-one
CID 14726394
5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide
CID 42388721
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-9H-fluorene-2-carboxamide
CID 15463155

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine?
The IUPAC name of 4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine (CID 68626819) is 4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine?
The canonical SMILES for 4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine is COc1ccccc1N1CCN(CCCNc2ccc(N)c(N)c2)CC1.
What is the InChIKey of 4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine?
The InChIKey is NKOPYHOOSMRQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-26-20-6-3-2-5-19(20)25-13-11-24(12-14-25)10-4-9-23-16-7-8-17(21)18(22)15-16/h2-3,5-8,15,23H,4,9-14,21-22H2,1H3.
What are the key properties of 4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine?
4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine has a molecular weight of 355.49 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzene-1,2,4-triamine is sourced from PubChem (CID 68626819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).