1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine

C18H32N2 — CID 64952072

IUPAC1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(C23CC4CC(CC(C4)C2)C3)C(C(C)C)CN1
InChIInChI=1S/C18H32N2/c1-12(2)17-10-19-13(3)11-20(17)18-7-14-4-15(8-18)6-16(5-14)9-18/h12-17,19H,4-11H2,1-3H3
InChIKeyQMBQRQUELKAZAL-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.27
Rot. Bonds2

About 1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine

1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 64952072) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID64952072
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(C23CC4CC(CC(C4)C2)C3)C(C(C)C)CN1
InChIInChI=1S/C18H32N2/c1-12(2)17-10-19-13(3)11-20(17)18-7-14-4-15(8-18)6-16(5-14)9-18/h12-17,19H,4-11H2,1-3H3
InChIKeyQMBQRQUELKAZAL-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine (CID 64952072) is 1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine is CC1CN(C23CC4CC(CC(C4)C2)C3)C(C(C)C)CN1.
What is the InChIKey of 1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is QMBQRQUELKAZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-12(2)17-10-19-13(3)11-20(17)18-7-14-4-15(8-18)6-16(5-14)9-18/h12-17,19H,4-11H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine?
1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 276.47 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64952072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).