1-(2-adamantyl)-4-ethylpiperazine

C16H28N2 — CID 783904

IUPAC1-(2-adamantyl)-4-ethylpiperazine
SMILESCCN1CCN(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C16H28N2/c1-2-17-3-5-18(6-4-17)16-14-8-12-7-13(10-14)11-15(16)9-12/h12-16H,2-11H2,1H3
InChIKeyFYVMBBFTIIUZEJ-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.45
Rot. Bonds2

About 1-(2-adamantyl)-4-ethylpiperazine

1-(2-adamantyl)-4-ethylpiperazine (PubChem CID 783904) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(2-adamantyl)-4-ethylpiperazine
PubChem CID783904
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(2-adamantyl)-4-ethylpiperazine
SMILESCCN1CCN(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C16H28N2/c1-2-17-3-5-18(6-4-17)16-14-8-12-7-13(10-14)11-15(16)9-12/h12-16H,2-11H2,1H3
InChIKeyFYVMBBFTIIUZEJ-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-adamantyl)pyrrolidine;hydrochloride
CID 12828801
2-[4-(2-adamantyl)piperazin-1-yl]acetamide
CID 22193964
1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine
CID 1351342
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine
CID 23881244
2-[[4-(2-adamantyl)piperazin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 118779205
1,4-diethylpiperazine;sulfane
CID 177062456
1-(2-adamantyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 997983
1-(2-adamantyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 22202123
1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine
CID 23792304
N-[1-(1-ethylpiperidin-4-yl)ethyl]adamantan-2-amine
CID 43720406
1-(2-adamantyl)-4-phenylpiperazine
CID 1378368

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-ethylpiperazine?
The IUPAC name of 1-(2-adamantyl)-4-ethylpiperazine (CID 783904) is 1-(2-adamantyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(2-adamantyl)-4-ethylpiperazine?
The canonical SMILES for 1-(2-adamantyl)-4-ethylpiperazine is CCN1CCN(C2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of 1-(2-adamantyl)-4-ethylpiperazine?
The InChIKey is FYVMBBFTIIUZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-2-17-3-5-18(6-4-17)16-14-8-12-7-13(10-14)11-15(16)9-12/h12-16H,2-11H2,1H3.
What are the key properties of 1-(2-adamantyl)-4-ethylpiperazine?
1-(2-adamantyl)-4-ethylpiperazine has a molecular weight of 248.41 g/mol, XLogP of 2.45, 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-ethylpiperazine is sourced from PubChem (CID 783904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).