(2R)-1-[4-[(2R)-2-hydroxy-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol

C30H46N2O2 — CID 71463394

IUPAC(2R)-1-[4-[(2R)-2-hydroxy-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol
SMILESO[C@H](CCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCc2ccccc2)CC1
InChIInChI=1S/C30H46N2O2/c33-29(19-11-3-9-17-27-13-5-1-6-14-27)25-31-21-23-32(24-22-31)26-30(34)20-12-4-10-18-28-15-7-2-8-16-28/h1-2,5-8,13-16,29-30,33-34H,3-4,9-12,17-26H2/t29-,30-/m1/s1
InChIKeyDNWFIUGNAPMSAY-LOYHVIPDSA-N
MW466.71 g/mol
LogP4.93
Rot. Bonds16

About (2R)-1-[4-[(2R)-2-hydroxy-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol

(2R)-1-[4-[(2R)-2-hydroxy-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol (PubChem CID 71463394) has the molecular formula C30H46N2O2 and a molecular weight of 466.71 g/mol. Its IUPAC name is (2R)-1-[4-[(2R)-2-hydroxy-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(2R)-2-hydroxy-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol
PubChem CID71463394
Molecular FormulaC30H46N2O2
Molecular Weight466.71 g/mol
Exact Mass466.36
IUPAC Name(2R)-1-[4-[(2R)-2-hydroxy-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol
SMILESO[C@H](CCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCc2ccccc2)CC1
InChIInChI=1S/C30H46N2O2/c33-29(19-11-3-9-17-27-13-5-1-6-14-27)25-31-21-23-32(24-22-31)26-30(34)20-12-4-10-18-28-15-7-2-8-16-28/h1-2,5-8,13-16,29-30,33-34H,3-4,9-12,17-26H2/t29-,30-/m1/s1
InChIKeyDNWFIUGNAPMSAY-LOYHVIPDSA-N
XLogP4.93
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.71
LogP ≤ 54.93
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-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol?
The IUPAC name of (2R)-1-[4-[(2R)-2-hydroxy-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol (CID 71463394) is (2R)-1-[4-[(2R)-2-hydroxy-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(2R)-2-hydroxy-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol?
The canonical SMILES for (2R)-1-[4-[(2R)-2-hydroxy-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol is O[C@H](CCCCCc1ccccc1)CN1CCN(C[C@H](O)CCCCCc2ccccc2)CC1.
What is the InChIKey of (2R)-1-[4-[(2R)-2-hydroxy-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol?
The InChIKey is DNWFIUGNAPMSAY-LOYHVIPDSA-N. The full InChI is InChI=1S/C30H46N2O2/c33-29(19-11-3-9-17-27-13-5-1-6-14-27)25-31-21-23-32(24-22-31)26-30(34)20-12-4-10-18-28-15-7-2-8-16-28/h1-2,5-8,13-16,29-30,33-34H,3-4,9-12,17-26H2/t29-,30-/m1/s1.
What are the key properties of (2R)-1-[4-[(2R)-2-hydroxy-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol?
(2R)-1-[4-[(2R)-2-hydroxy-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol has a molecular weight of 466.71 g/mol, XLogP of 4.93, 16 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-7-phenylheptyl]piperazin-1-yl]-7-phenylheptan-2-ol is sourced from PubChem (CID 71463394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).