1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine

C24H32N2 — CID 162674453

IUPAC1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine
SMILESc1ccc([C@H]2CCC[C@@H](CCN3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H32N2/c1-3-9-22(10-4-1)23-11-7-8-21(20-23)14-15-25-16-18-26(19-17-25)24-12-5-2-6-13-24/h1-6,9-10,12-13,21,23H,7-8,11,14-20H2/t21-,23-/m0/s1
InChIKeyYRTQLIULUQYXGU-GMAHTHKFSA-N
MW348.53 g/mol
LogP5.17
Rot. Bonds5

About 1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine

1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine (PubChem CID 162674453) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine
PubChem CID162674453
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine
SMILESc1ccc([C@H]2CCC[C@@H](CCN3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C24H32N2/c1-3-9-22(10-4-1)23-11-7-8-21(20-23)14-15-25-16-18-26(19-17-25)24-12-5-2-6-13-24/h1-6,9-10,12-13,21,23H,7-8,11,14-20H2/t21-,23-/m0/s1
InChIKeyYRTQLIULUQYXGU-GMAHTHKFSA-N
XLogP5.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine?
The IUPAC name of 1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine (CID 162674453) is 1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine?
The canonical SMILES for 1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine is c1ccc([C@H]2CCC[C@@H](CCN3CCN(c4ccccc4)CC3)C2)cc1.
What is the InChIKey of 1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine?
The InChIKey is YRTQLIULUQYXGU-GMAHTHKFSA-N. The full InChI is InChI=1S/C24H32N2/c1-3-9-22(10-4-1)23-11-7-8-21(20-23)14-15-25-16-18-26(19-17-25)24-12-5-2-6-13-24/h1-6,9-10,12-13,21,23H,7-8,11,14-20H2/t21-,23-/m0/s1.
What are the key properties of 1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine?
1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine has a molecular weight of 348.53 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[2-[(1R,3S)-3-phenylcyclohexyl]ethyl]piperazine is sourced from PubChem (CID 162674453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).