(3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine

C24H33NO2 — CID 67193826

IUPAC(3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine
SMILESCOCCCOC(c1ccccc1CCc1ccccc1)[C@@H]1CCCNC1
InChIInChI=1S/C24H33NO2/c1-26-17-8-18-27-24(22-12-7-16-25-19-22)23-13-6-5-11-21(23)15-14-20-9-3-2-4-10-20/h2-6,9-11,13,22,24-25H,7-8,12,14-19H2,1H3/t22-,24?/m1/s1
InChIKeyPFRRTZVMIIKIPD-LETIRJCYSA-N
MW367.53 g/mol
LogP4.57
Rot. Bonds10

About (3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine

(3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine (PubChem CID 67193826) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine
PubChem CID67193826
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine
SMILESCOCCCOC(c1ccccc1CCc1ccccc1)[C@@H]1CCCNC1
InChIInChI=1S/C24H33NO2/c1-26-17-8-18-27-24(22-12-7-16-25-19-22)23-13-6-5-11-21(23)15-14-20-9-3-2-4-10-20/h2-6,9-11,13,22,24-25H,7-8,12,14-19H2,1H3/t22-,24?/m1/s1
InChIKeyPFRRTZVMIIKIPD-LETIRJCYSA-N
XLogP4.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine?
The IUPAC name of (3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine (CID 67193826) is (3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine.
What is the SMILES notation for (3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine?
The canonical SMILES for (3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine is COCCCOC(c1ccccc1CCc1ccccc1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine?
The InChIKey is PFRRTZVMIIKIPD-LETIRJCYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-26-17-8-18-27-24(22-12-7-16-25-19-22)23-13-6-5-11-21(23)15-14-20-9-3-2-4-10-20/h2-6,9-11,13,22,24-25H,7-8,12,14-19H2,1H3/t22-,24?/m1/s1.
What are the key properties of (3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine?
(3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine has a molecular weight of 367.53 g/mol, XLogP of 4.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 67193826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).