1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazine

C21H28N2 — CID 1376387

IUPAC1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazine
SMILESCc1ccc(C)c(N2CCN(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C21H28N2/c1-18-10-11-19(2)21(17-18)23-15-13-22(14-16-23)12-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3
InChIKeyDFAZKXXYTBVFSM-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.06
Rot. Bonds5

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

1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazine (PubChem CID 1376387) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazine
PubChem CID1376387
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazine
SMILESCc1ccc(C)c(N2CCN(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C21H28N2/c1-18-10-11-19(2)21(17-18)23-15-13-22(14-16-23)12-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3
InChIKeyDFAZKXXYTBVFSM-UHFFFAOYSA-N
XLogP4.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazine (CID 1376387) is 1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazine is Cc1ccc(C)c(N2CCN(CCCc3ccccc3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazine?
The InChIKey is DFAZKXXYTBVFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-18-10-11-19(2)21(17-18)23-15-13-22(14-16-23)12-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazine?
1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazine has a molecular weight of 308.47 g/mol, XLogP of 4.06, 5 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-(3-phenylpropyl)piperazine is sourced from PubChem (CID 1376387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).