(2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine

C24H25NO2 — CID 46888103

IUPAC(2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine
SMILESc1ccc(-c2ccc(Oc3ccc(OC[C@@H]4CCCCN4)cc3)cc2)cc1
InChIInChI=1S/C24H25NO2/c1-2-6-19(7-3-1)20-9-11-23(12-10-20)27-24-15-13-22(14-16-24)26-18-21-8-4-5-17-25-21/h1-3,6-7,9-16,21,25H,4-5,8,17-18H2/t21-/m0/s1
InChIKeyOFUKQKWKCUIKLJ-NRFANRHFSA-N
MW359.47 g/mol
LogP5.67
Rot. Bonds6

About (2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine

(2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine (PubChem CID 46888103) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine
PubChem CID46888103
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine
SMILESc1ccc(-c2ccc(Oc3ccc(OC[C@@H]4CCCCN4)cc3)cc2)cc1
InChIInChI=1S/C24H25NO2/c1-2-6-19(7-3-1)20-9-11-23(12-10-20)27-24-15-13-22(14-16-24)26-18-21-8-4-5-17-25-21/h1-3,6-7,9-16,21,25H,4-5,8,17-18H2/t21-/m0/s1
InChIKeyOFUKQKWKCUIKLJ-NRFANRHFSA-N
XLogP5.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine?
The IUPAC name of (2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine (CID 46888103) is (2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine.
What is the SMILES notation for (2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine?
The canonical SMILES for (2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine is c1ccc(-c2ccc(Oc3ccc(OC[C@@H]4CCCCN4)cc3)cc2)cc1.
What is the InChIKey of (2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine?
The InChIKey is OFUKQKWKCUIKLJ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25NO2/c1-2-6-19(7-3-1)20-9-11-23(12-10-20)27-24-15-13-22(14-16-24)26-18-21-8-4-5-17-25-21/h1-3,6-7,9-16,21,25H,4-5,8,17-18H2/t21-/m0/s1.
What are the key properties of (2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine?
(2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine has a molecular weight of 359.47 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(4-phenylphenoxy)phenoxy]methyl]piperidine is sourced from PubChem (CID 46888103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).