1-(1-adamantylmethyl)piperazine

C15H26N2 — CID 3716210

IUPAC1-(1-adamantylmethyl)piperazine
SMILESC1CN(CC23CC4CC(CC(C4)C2)C3)CCN1
InChIInChI=1S/C15H26N2/c1-3-17(4-2-16-1)11-15-8-12-5-13(9-15)7-14(6-12)10-15/h12-14,16H,1-11H2
InChIKeyKSLFCNYWGLDEGU-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.11
Rot. Bonds2

About 1-(1-adamantylmethyl)piperazine

1-(1-adamantylmethyl)piperazine (PubChem CID 3716210) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-(1-adamantylmethyl)piperazine.

Molecular Properties

Compound Name1-(1-adamantylmethyl)piperazine
PubChem CID3716210
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-(1-adamantylmethyl)piperazine
SMILESC1CN(CC23CC4CC(CC(C4)C2)C3)CCN1
InChIInChI=1S/C15H26N2/c1-3-17(4-2-16-1)11-15-8-12-5-13(9-15)7-14(6-12)10-15/h12-14,16H,1-11H2
InChIKeyKSLFCNYWGLDEGU-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethyl)piperazine?
The IUPAC name of 1-(1-adamantylmethyl)piperazine (CID 3716210) is 1-(1-adamantylmethyl)piperazine.
What is the SMILES notation for 1-(1-adamantylmethyl)piperazine?
The canonical SMILES for 1-(1-adamantylmethyl)piperazine is C1CN(CC23CC4CC(CC(C4)C2)C3)CCN1.
What is the InChIKey of 1-(1-adamantylmethyl)piperazine?
The InChIKey is KSLFCNYWGLDEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-17(4-2-16-1)11-15-8-12-5-13(9-15)7-14(6-12)10-15/h12-14,16H,1-11H2.
What are the key properties of 1-(1-adamantylmethyl)piperazine?
1-(1-adamantylmethyl)piperazine has a molecular weight of 234.39 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethyl)piperazine is sourced from PubChem (CID 3716210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).