1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine

C22H32N2 — CID 1378358

IUPAC1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1
InChIInChI=1S/C22H32N2/c1-15-3-4-16(2)21(9-15)23-5-7-24(8-6-23)22-19-11-17-10-18(13-19)14-20(22)12-17/h3-4,9,17-20,22H,5-8,10-14H2,1-2H3
InChIKeyHLHMERMDTZCCDJ-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.25
Rot. Bonds2

About 1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine

1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine (PubChem CID 1378358) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine
PubChem CID1378358
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1
InChIInChI=1S/C22H32N2/c1-15-3-4-16(2)21(9-15)23-5-7-24(8-6-23)22-19-11-17-10-18(13-19)14-20(22)12-17/h3-4,9,17-20,22H,5-8,10-14H2,1-2H3
InChIKeyHLHMERMDTZCCDJ-UHFFFAOYSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine?
The IUPAC name of 1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine (CID 1378358) is 1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine?
The canonical SMILES for 1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine is Cc1ccc(C)c(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1.
What is the InChIKey of 1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine?
The InChIKey is HLHMERMDTZCCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-15-3-4-16(2)21(9-15)23-5-7-24(8-6-23)22-19-11-17-10-18(13-19)14-20(22)12-17/h3-4,9,17-20,22H,5-8,10-14H2,1-2H3.
What are the key properties of 1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine?
1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine has a molecular weight of 324.51 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-(2,5-dimethylphenyl)piperazine is sourced from PubChem (CID 1378358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).