1-(2-adamantyl)piperazine

C14H24N2 — CID 4599242

IUPAC1-(2-adamantyl)piperazine
SMILESC1CN(C2C3CC4CC(C3)CC2C4)CCN1
InChIInChI=1S/C14H24N2/c1-3-16(4-2-15-1)14-12-6-10-5-11(8-12)9-13(14)7-10/h10-15H,1-9H2
InChIKeyLBXYGEXAYYPYSE-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.72
Rot. Bonds1

About 1-(2-adamantyl)piperazine

1-(2-adamantyl)piperazine (PubChem CID 4599242) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(2-adamantyl)piperazine.

Molecular Properties

Compound Name1-(2-adamantyl)piperazine
PubChem CID4599242
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(2-adamantyl)piperazine
SMILESC1CN(C2C3CC4CC(C3)CC2C4)CCN1
InChIInChI=1S/C14H24N2/c1-3-16(4-2-15-1)14-12-6-10-5-11(8-12)9-13(14)7-10/h10-15H,1-9H2
InChIKeyLBXYGEXAYYPYSE-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)piperazine?
The IUPAC name of 1-(2-adamantyl)piperazine (CID 4599242) is 1-(2-adamantyl)piperazine.
What is the SMILES notation for 1-(2-adamantyl)piperazine?
The canonical SMILES for 1-(2-adamantyl)piperazine is C1CN(C2C3CC4CC(C3)CC2C4)CCN1.
What is the InChIKey of 1-(2-adamantyl)piperazine?
The InChIKey is LBXYGEXAYYPYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-16(4-2-15-1)14-12-6-10-5-11(8-12)9-13(14)7-10/h10-15H,1-9H2.
What are the key properties of 1-(2-adamantyl)piperazine?
1-(2-adamantyl)piperazine has a molecular weight of 220.36 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)piperazine is sourced from PubChem (CID 4599242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).