(3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine

C24H25NO — CID 69451601

IUPAC(3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine
SMILESc1ccc(-c2ccccc2OC[C@H]2CNCC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H25NO/c1-3-9-19(10-4-1)22-15-16-25-17-21(22)18-26-24-14-8-7-13-23(24)20-11-5-2-6-12-20/h1-14,21-22,25H,15-18H2/t21-,22+/m1/s1
InChIKeyQBLDIVLVLWKHLR-YADHBBJMSA-N
MW343.47 g/mol
LogP5.13
Rot. Bonds5

About (3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine

(3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine (PubChem CID 69451601) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is (3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine
PubChem CID69451601
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name(3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine
SMILESc1ccc(-c2ccccc2OC[C@H]2CNCC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H25NO/c1-3-9-19(10-4-1)22-15-16-25-17-21(22)18-26-24-14-8-7-13-23(24)20-11-5-2-6-12-20/h1-14,21-22,25H,15-18H2/t21-,22+/m1/s1
InChIKeyQBLDIVLVLWKHLR-YADHBBJMSA-N
XLogP5.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine?
The IUPAC name of (3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine (CID 69451601) is (3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine.
What is the SMILES notation for (3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine?
The canonical SMILES for (3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine is c1ccc(-c2ccccc2OC[C@H]2CNCC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine?
The InChIKey is QBLDIVLVLWKHLR-YADHBBJMSA-N. The full InChI is InChI=1S/C24H25NO/c1-3-9-19(10-4-1)22-15-16-25-17-21(22)18-26-24-14-8-7-13-23(24)20-11-5-2-6-12-20/h1-14,21-22,25H,15-18H2/t21-,22+/m1/s1.
What are the key properties of (3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine?
(3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine has a molecular weight of 343.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine is sourced from PubChem (CID 69451601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).