1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine

C21H36N2 — CID 1351342

IUPAC1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine
SMILESCC1CCC(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)CC1
InChIInChI=1S/C21H36N2/c1-15-2-4-20(5-3-15)22-6-8-23(9-7-22)21-18-11-16-10-17(13-18)14-19(21)12-16/h15-21H,2-14H2,1H3
InChIKeyYTLAGVUSFRKDFA-UHFFFAOYSA-N
MW316.53 g/mol
LogP4.01
Rot. Bonds2

About 1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine

1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine (PubChem CID 1351342) has the molecular formula C21H36N2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine
PubChem CID1351342
Molecular FormulaC21H36N2
Molecular Weight316.53 g/mol
Exact Mass316.29
IUPAC Name1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine
SMILESCC1CCC(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)CC1
InChIInChI=1S/C21H36N2/c1-15-2-4-20(5-3-15)22-6-8-23(9-7-22)21-18-11-16-10-17(13-18)14-19(21)12-16/h15-21H,2-14H2,1H3
InChIKeyYTLAGVUSFRKDFA-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine?
The IUPAC name of 1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine (CID 1351342) is 1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine.
What is the SMILES notation for 1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine?
The canonical SMILES for 1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine is CC1CCC(N2CCN(C3C4CC5CC(C4)CC3C5)CC2)CC1.
What is the InChIKey of 1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine?
The InChIKey is YTLAGVUSFRKDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2/c1-15-2-4-20(5-3-15)22-6-8-23(9-7-22)21-18-11-16-10-17(13-18)14-19(21)12-16/h15-21H,2-14H2,1H3.
What are the key properties of 1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine?
1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine has a molecular weight of 316.53 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-(4-methylcyclohexyl)piperazine is sourced from PubChem (CID 1351342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).