1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine

C18H32N2 — CID 64938236

IUPAC1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine
SMILESCCC1CNCCN1C(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H32N2/c1-3-17-12-19-4-5-20(17)13(2)18-9-14-6-15(10-18)8-16(7-14)11-18/h13-17,19H,3-12H2,1-2H3
InChIKeyDWSKLIHOGWIJIP-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.28
Rot. Bonds3

About 1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine

1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine (PubChem CID 64938236) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine.

Molecular Properties

Compound Name1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine
PubChem CID64938236
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine
SMILESCCC1CNCCN1C(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H32N2/c1-3-17-12-19-4-5-20(17)13(2)18-9-14-6-15(10-18)8-16(7-14)11-18/h13-17,19H,3-12H2,1-2H3
InChIKeyDWSKLIHOGWIJIP-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine?
The IUPAC name of 1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine (CID 64938236) is 1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine.
What is the SMILES notation for 1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine?
The canonical SMILES for 1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine is CCC1CNCCN1C(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine?
The InChIKey is DWSKLIHOGWIJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-3-17-12-19-4-5-20(17)13(2)18-9-14-6-15(10-18)8-16(7-14)11-18/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine?
1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine has a molecular weight of 276.47 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine is sourced from PubChem (CID 64938236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).