(2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol

C32H50N2O2 — CID 71463396

IUPAC(2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol
SMILESO[C@H](CCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCc2ccccc2)CC1
InChIInChI=1S/C32H50N2O2/c35-31(21-13-3-1-7-15-29-17-9-5-10-18-29)27-33-23-25-34(26-24-33)28-32(36)22-14-4-2-8-16-30-19-11-6-12-20-30/h5-6,9-12,17-20,31-32,35-36H,1-4,7-8,13-16,21-28H2/t31-,32-/m1/s1
InChIKeyREHLRRTXQWHLBS-ROJLCIKYSA-N
MW494.76 g/mol
LogP5.71
Rot. Bonds18

About (2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol

(2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol (PubChem CID 71463396) has the molecular formula C32H50N2O2 and a molecular weight of 494.76 g/mol. Its IUPAC name is (2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol
PubChem CID71463396
Molecular FormulaC32H50N2O2
Molecular Weight494.76 g/mol
Exact Mass494.39
IUPAC Name(2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol
SMILESO[C@H](CCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCc2ccccc2)CC1
InChIInChI=1S/C32H50N2O2/c35-31(21-13-3-1-7-15-29-17-9-5-10-18-29)27-33-23-25-34(26-24-33)28-32(36)22-14-4-2-8-16-30-19-11-6-12-20-30/h5-6,9-12,17-20,31-32,35-36H,1-4,7-8,13-16,21-28H2/t31-,32-/m1/s1
InChIKeyREHLRRTXQWHLBS-ROJLCIKYSA-N
XLogP5.71
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.76
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol?
The IUPAC name of (2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol (CID 71463396) is (2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol?
The canonical SMILES for (2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol is O[C@H](CCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCc2ccccc2)CC1.
What is the InChIKey of (2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol?
The InChIKey is REHLRRTXQWHLBS-ROJLCIKYSA-N. The full InChI is InChI=1S/C32H50N2O2/c35-31(21-13-3-1-7-15-29-17-9-5-10-18-29)27-33-23-25-34(26-24-33)28-32(36)22-14-4-2-8-16-30-19-11-6-12-20-30/h5-6,9-12,17-20,31-32,35-36H,1-4,7-8,13-16,21-28H2/t31-,32-/m1/s1.
What are the key properties of (2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol?
(2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol has a molecular weight of 494.76 g/mol, XLogP of 5.71, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(2R)-2-hydroxy-8-phenyloctyl]piperazin-1-yl]-8-phenyloctan-2-ol is sourced from PubChem (CID 71463396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).