1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine

C19H31N3 — CID 170863747

IUPAC1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine
SMILESCc1cc(N2CCCC2)ccc1CCCN1CCN(C)CC1
InChIInChI=1S/C19H31N3/c1-17-16-19(22-10-3-4-11-22)8-7-18(17)6-5-9-21-14-12-20(2)13-15-21/h7-8,16H,3-6,9-15H2,1-2H3
InChIKeyZLFQLIZJQZCYPW-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.78
Rot. Bonds5

About 1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine

1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine (PubChem CID 170863747) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine
PubChem CID170863747
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine
SMILESCc1cc(N2CCCC2)ccc1CCCN1CCN(C)CC1
InChIInChI=1S/C19H31N3/c1-17-16-19(22-10-3-4-11-22)8-7-18(17)6-5-9-21-14-12-20(2)13-15-21/h7-8,16H,3-6,9-15H2,1-2H3
InChIKeyZLFQLIZJQZCYPW-UHFFFAOYSA-N
XLogP2.78
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine 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

2-methyl-4-[3-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propyl]phenol
CID 90951023
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
[4-(azepan-1-yl)-2-methylphenyl]methanol
CID 62136548
6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline
CID 170864278
1-methyl-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)propyl]piperazine
CID 170862597
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
2-methyl-5-pyrrolidin-1-yl-1,3-dihydroisoindole
CID 168515104
1-(3-ethyl-4-methylphenyl)-4-methylpiperazine
CID 142939329
2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol
CID 62135193
[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanamine
CID 62135177
[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]methanol
CID 62134517

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine (CID 170863747) is 1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine is Cc1cc(N2CCCC2)ccc1CCCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine?
The InChIKey is ZLFQLIZJQZCYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-17-16-19(22-10-3-4-11-22)8-7-18(17)6-5-9-21-14-12-20(2)13-15-21/h7-8,16H,3-6,9-15H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine?
1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine has a molecular weight of 301.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(2-methyl-4-pyrrolidin-1-ylphenyl)propyl]piperazine is sourced from PubChem (CID 170863747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).