1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine

C23H30N2O — CID 164616454

IUPAC1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine
SMILESc1ccc([C@@H]2CCC[C@H](CCN3CCN(c4ccccc4)CC3)O2)cc1
InChIInChI=1S/C23H30N2O/c1-3-8-20(9-4-1)23-13-7-12-22(26-23)14-15-24-16-18-25(19-17-24)21-10-5-2-6-11-21/h1-6,8-11,22-23H,7,12-19H2/t22-,23+/m1/s1
InChIKeyBEZXRTIXFCIASE-PKTZIBPZSA-N
MW350.51 g/mol
LogP4.51
Rot. Bonds5

About 1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine

1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine (PubChem CID 164616454) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine
PubChem CID164616454
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine
SMILESc1ccc([C@@H]2CCC[C@H](CCN3CCN(c4ccccc4)CC3)O2)cc1
InChIInChI=1S/C23H30N2O/c1-3-8-20(9-4-1)23-13-7-12-22(26-23)14-15-24-16-18-25(19-17-24)21-10-5-2-6-11-21/h1-6,8-11,22-23H,7,12-19H2/t22-,23+/m1/s1
InChIKeyBEZXRTIXFCIASE-PKTZIBPZSA-N
XLogP4.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine?
The IUPAC name of 1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine (CID 164616454) is 1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine?
The canonical SMILES for 1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine is c1ccc([C@@H]2CCC[C@H](CCN3CCN(c4ccccc4)CC3)O2)cc1.
What is the InChIKey of 1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine?
The InChIKey is BEZXRTIXFCIASE-PKTZIBPZSA-N. The full InChI is InChI=1S/C23H30N2O/c1-3-8-20(9-4-1)23-13-7-12-22(26-23)14-15-24-16-18-25(19-17-24)21-10-5-2-6-11-21/h1-6,8-11,22-23H,7,12-19H2/t22-,23+/m1/s1.
What are the key properties of 1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine?
1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine has a molecular weight of 350.51 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]piperazine is sourced from PubChem (CID 164616454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).