1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine

C21H30N2O — CID 743084

IUPAC1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1
InChIInChI=1S/C21H30N2O/c1-24-20-4-2-3-19(14-20)22-5-7-23(8-6-22)21-17-10-15-9-16(12-17)13-18(21)11-15/h2-4,14-18,21H,5-13H2,1H3
InChIKeyAMPVOUMCXYCMAI-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.64
Rot. Bonds3

About 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine

1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine (PubChem CID 743084) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine
PubChem CID743084
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1
InChIInChI=1S/C21H30N2O/c1-24-20-4-2-3-19(14-20)22-5-7-23(8-6-22)21-17-10-15-9-16(12-17)13-18(21)11-15/h2-4,14-18,21H,5-13H2,1H3
InChIKeyAMPVOUMCXYCMAI-UHFFFAOYSA-N
XLogP3.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine (CID 743084) is 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)c1.
What is the InChIKey of 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine?
The InChIKey is AMPVOUMCXYCMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-24-20-4-2-3-19(14-20)22-5-7-23(8-6-22)21-17-10-15-9-16(12-17)13-18(21)11-15/h2-4,14-18,21H,5-13H2,1H3.
What are the key properties of 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine?
1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine has a molecular weight of 326.48 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 743084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).