1-(2-adamantyl)-4-methylpiperazine

C15H26N2 — CID 867254

IUPAC1-(2-adamantyl)-4-methylpiperazine
SMILESCN1CCN(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C15H26N2/c1-16-2-4-17(5-3-16)15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,2-10H2,1H3
InChIKeyRRHYXUFSOXKEEZ-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.06
Rot. Bonds1

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

1-(2-adamantyl)-4-methylpiperazine (PubChem CID 867254) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-adamantyl)-4-methylpiperazine
PubChem CID867254
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(2-adamantyl)-4-methylpiperazine
SMILESCN1CCN(C2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C15H26N2/c1-16-2-4-17(5-3-16)15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,2-10H2,1H3
InChIKeyRRHYXUFSOXKEEZ-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-adamantyl)-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-methylpiperazine?
The IUPAC name of 1-(2-adamantyl)-4-methylpiperazine (CID 867254) is 1-(2-adamantyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-adamantyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-adamantyl)-4-methylpiperazine is CN1CCN(C2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of 1-(2-adamantyl)-4-methylpiperazine?
The InChIKey is RRHYXUFSOXKEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-16-2-4-17(5-3-16)15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,2-10H2,1H3.
What are the key properties of 1-(2-adamantyl)-4-methylpiperazine?
1-(2-adamantyl)-4-methylpiperazine has a molecular weight of 234.39 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-methylpiperazine is sourced from PubChem (CID 867254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).