1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine

C22H28N2 — CID 2846407

IUPAC1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
SMILESCc1ccc(C)c(N2CCN(C3CCc4ccccc4C3)CC2)c1
InChIInChI=1S/C22H28N2/c1-17-7-8-18(2)22(15-17)24-13-11-23(12-14-24)21-10-9-19-5-3-4-6-20(19)16-21/h3-8,15,21H,9-14,16H2,1-2H3
InChIKeySOSROSOPGZRZNB-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.98
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine

1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine (PubChem CID 2846407) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
PubChem CID2846407
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
SMILESCc1ccc(C)c(N2CCN(C3CCc4ccccc4C3)CC2)c1
InChIInChI=1S/C22H28N2/c1-17-7-8-18(2)22(15-17)24-13-11-23(12-14-24)21-10-9-19-5-3-4-6-20(19)16-21/h3-8,15,21H,9-14,16H2,1-2H3
InChIKeySOSROSOPGZRZNB-UHFFFAOYSA-N
XLogP3.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine (CID 2846407) is 1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine is Cc1ccc(C)c(N2CCN(C3CCc4ccccc4C3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
The InChIKey is SOSROSOPGZRZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-17-7-8-18(2)22(15-17)24-13-11-23(12-14-24)21-10-9-19-5-3-4-6-20(19)16-21/h3-8,15,21H,9-14,16H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine?
1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine has a molecular weight of 320.48 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine is sourced from PubChem (CID 2846407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).