(2R)-1-[4-[(2R)-2-hydroxy-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol

C34H54N2O2 — CID 71463395

IUPAC(2R)-1-[4-[(2R)-2-hydroxy-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol
SMILESO[C@H](CCCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCCc2ccccc2)CC1
InChIInChI=1S/C34H54N2O2/c37-33(23-15-5-1-3-9-17-31-19-11-7-12-20-31)29-35-25-27-36(28-26-35)30-34(38)24-16-6-2-4-10-18-32-21-13-8-14-22-32/h7-8,11-14,19-22,33-34,37-38H,1-6,9-10,15-18,23-30H2/t33-,34-/m1/s1
InChIKeyBWPADIMFLRZELJ-KKLWWLSJSA-N
MW522.82 g/mol
LogP6.49
Rot. Bonds20

About (2R)-1-[4-[(2R)-2-hydroxy-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol

(2R)-1-[4-[(2R)-2-hydroxy-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol (PubChem CID 71463395) has the molecular formula C34H54N2O2 and a molecular weight of 522.82 g/mol. Its IUPAC name is (2R)-1-[4-[(2R)-2-hydroxy-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(2R)-2-hydroxy-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol
PubChem CID71463395
Molecular FormulaC34H54N2O2
Molecular Weight522.82 g/mol
Exact Mass522.42
IUPAC Name(2R)-1-[4-[(2R)-2-hydroxy-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol
SMILESO[C@H](CCCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCCc2ccccc2)CC1
InChIInChI=1S/C34H54N2O2/c37-33(23-15-5-1-3-9-17-31-19-11-7-12-20-31)29-35-25-27-36(28-26-35)30-34(38)24-16-6-2-4-10-18-32-21-13-8-14-22-32/h7-8,11-14,19-22,33-34,37-38H,1-6,9-10,15-18,23-30H2/t33-,34-/m1/s1
InChIKeyBWPADIMFLRZELJ-KKLWWLSJSA-N
XLogP6.49
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.82
LogP ≤ 56.49
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-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol?
The IUPAC name of (2R)-1-[4-[(2R)-2-hydroxy-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol (CID 71463395) is (2R)-1-[4-[(2R)-2-hydroxy-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(2R)-2-hydroxy-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol?
The canonical SMILES for (2R)-1-[4-[(2R)-2-hydroxy-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol is O[C@H](CCCCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCCCc2ccccc2)CC1.
What is the InChIKey of (2R)-1-[4-[(2R)-2-hydroxy-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol?
The InChIKey is BWPADIMFLRZELJ-KKLWWLSJSA-N. The full InChI is InChI=1S/C34H54N2O2/c37-33(23-15-5-1-3-9-17-31-19-11-7-12-20-31)29-35-25-27-36(28-26-35)30-34(38)24-16-6-2-4-10-18-32-21-13-8-14-22-32/h7-8,11-14,19-22,33-34,37-38H,1-6,9-10,15-18,23-30H2/t33-,34-/m1/s1.
What are the key properties of (2R)-1-[4-[(2R)-2-hydroxy-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol?
(2R)-1-[4-[(2R)-2-hydroxy-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol has a molecular weight of 522.82 g/mol, XLogP of 6.49, 20 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-9-phenylnonyl]piperazin-1-yl]-9-phenylnonan-2-ol is sourced from PubChem (CID 71463395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).