1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine

C23H36N2O — CID 69218882

IUPAC1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine
SMILESc1ccc(N2CCN(CC3CCOCC3)CC2)c(C2CCCCCC2)c1
InChIInChI=1S/C23H36N2O/c1-2-4-8-21(7-3-1)22-9-5-6-10-23(22)25-15-13-24(14-16-25)19-20-11-17-26-18-12-20/h5-6,9-10,20-21H,1-4,7-8,11-19H2
InChIKeyASBQBBWJJFNQEQ-UHFFFAOYSA-N
MW356.55 g/mol
LogP4.67
Rot. Bonds4

About 1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine

1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine (PubChem CID 69218882) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is 1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine
PubChem CID69218882
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC Name1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine
SMILESc1ccc(N2CCN(CC3CCOCC3)CC2)c(C2CCCCCC2)c1
InChIInChI=1S/C23H36N2O/c1-2-4-8-21(7-3-1)22-9-5-6-10-23(22)25-15-13-24(14-16-25)19-20-11-17-26-18-12-20/h5-6,9-10,20-21H,1-4,7-8,11-19H2
InChIKeyASBQBBWJJFNQEQ-UHFFFAOYSA-N
XLogP4.67
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine?
The IUPAC name of 1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine (CID 69218882) is 1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine?
The canonical SMILES for 1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine is c1ccc(N2CCN(CC3CCOCC3)CC2)c(C2CCCCCC2)c1.
What is the InChIKey of 1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine?
The InChIKey is ASBQBBWJJFNQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O/c1-2-4-8-21(7-3-1)22-9-5-6-10-23(22)25-15-13-24(14-16-25)19-20-11-17-26-18-12-20/h5-6,9-10,20-21H,1-4,7-8,11-19H2.
What are the key properties of 1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine?
1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine has a molecular weight of 356.55 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptylphenyl)-4-(oxan-4-ylmethyl)piperazine is sourced from PubChem (CID 69218882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).