(3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine

C22H23NO2 — CID 59674730

IUPAC(3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine
SMILESc1ccc(-c2ccc(CO[C@H]3CNCC[C@@H]3c3ccoc3)cc2)cc1
InChIInChI=1S/C22H23NO2/c1-2-4-18(5-3-1)19-8-6-17(7-9-19)15-25-22-14-23-12-10-21(22)20-11-13-24-16-20/h1-9,11,13,16,21-23H,10,12,14-15H2/t21-,22+/m1/s1
InChIKeyMDHCKITYWFTPQF-YADHBBJMSA-N
MW333.43 g/mol
LogP4.61
Rot. Bonds5

About (3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine

(3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine (PubChem CID 59674730) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine.

Molecular Properties

Compound Name(3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine
PubChem CID59674730
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine
SMILESc1ccc(-c2ccc(CO[C@H]3CNCC[C@@H]3c3ccoc3)cc2)cc1
InChIInChI=1S/C22H23NO2/c1-2-4-18(5-3-1)19-8-6-17(7-9-19)15-25-22-14-23-12-10-21(22)20-11-13-24-16-20/h1-9,11,13,16,21-23H,10,12,14-15H2/t21-,22+/m1/s1
InChIKeyMDHCKITYWFTPQF-YADHBBJMSA-N
XLogP4.61
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine?
The IUPAC name of (3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine (CID 59674730) is (3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine.
What is the SMILES notation for (3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine?
The canonical SMILES for (3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine is c1ccc(-c2ccc(CO[C@H]3CNCC[C@@H]3c3ccoc3)cc2)cc1.
What is the InChIKey of (3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine?
The InChIKey is MDHCKITYWFTPQF-YADHBBJMSA-N. The full InChI is InChI=1S/C22H23NO2/c1-2-4-18(5-3-1)19-8-6-17(7-9-19)15-25-22-14-23-12-10-21(22)20-11-13-24-16-20/h1-9,11,13,16,21-23H,10,12,14-15H2/t21-,22+/m1/s1.
What are the key properties of (3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine?
(3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine has a molecular weight of 333.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(furan-3-yl)-3-[(4-phenylphenyl)methoxy]piperidine is sourced from PubChem (CID 59674730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).