1-phenyl-4-(4-phenylcyclohexyl)piperazine

C22H28N2 — CID 1378338

IUPAC1-phenyl-4-(4-phenylcyclohexyl)piperazine
SMILESc1ccc(C2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C22H28N2/c1-3-7-19(8-4-1)20-11-13-22(14-12-20)24-17-15-23(16-18-24)21-9-5-2-6-10-21/h1-10,20,22H,11-18H2
InChIKeyVKCHACDTSFSPJM-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.53
Rot. Bonds3

About 1-phenyl-4-(4-phenylcyclohexyl)piperazine

1-phenyl-4-(4-phenylcyclohexyl)piperazine (PubChem CID 1378338) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-phenyl-4-(4-phenylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-phenyl-4-(4-phenylcyclohexyl)piperazine
PubChem CID1378338
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name1-phenyl-4-(4-phenylcyclohexyl)piperazine
SMILESc1ccc(C2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C22H28N2/c1-3-7-19(8-4-1)20-11-13-22(14-12-20)24-17-15-23(16-18-24)21-9-5-2-6-10-21/h1-10,20,22H,11-18H2
InChIKeyVKCHACDTSFSPJM-UHFFFAOYSA-N
XLogP4.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(4-phenylcyclohexyl)piperazine?
The IUPAC name of 1-phenyl-4-(4-phenylcyclohexyl)piperazine (CID 1378338) is 1-phenyl-4-(4-phenylcyclohexyl)piperazine.
What is the SMILES notation for 1-phenyl-4-(4-phenylcyclohexyl)piperazine?
The canonical SMILES for 1-phenyl-4-(4-phenylcyclohexyl)piperazine is c1ccc(C2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-(4-phenylcyclohexyl)piperazine?
The InChIKey is VKCHACDTSFSPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-3-7-19(8-4-1)20-11-13-22(14-12-20)24-17-15-23(16-18-24)21-9-5-2-6-10-21/h1-10,20,22H,11-18H2.
What are the key properties of 1-phenyl-4-(4-phenylcyclohexyl)piperazine?
1-phenyl-4-(4-phenylcyclohexyl)piperazine has a molecular weight of 320.48 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(4-phenylcyclohexyl)piperazine is sourced from PubChem (CID 1378338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).