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

C24H33NO2 — CID 67193827

IUPAC3-[(R)-3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine
SMILESCOCCCO[C@@H](c1ccccc1CCc1ccccc1)C1CCCNC1
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-SYIFMXBLSA-N
MW367.53 g/mol
LogP4.57
Rot. Bonds10

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

3-[(R)-3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine (PubChem CID 67193827) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 3-[(R)-3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[(R)-3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine
PubChem CID67193827
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name3-[(R)-3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine
SMILESCOCCCO[C@@H](c1ccccc1CCc1ccccc1)C1CCCNC1
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-SYIFMXBLSA-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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Related Compounds

Diphenylpyraline
CID 3103
Diphenylpyraline Hydrochloride
CID 66063
Litoxetine
CID 65650
Tofenacin
CID 25315
Hepzidine
CID 70593
Piperidine-1-carboxamide, 7a
CID 44143374
Piperidine-1-carboxamide, 7b
CID 44143375
Piperidine-1-carboxamide, 7h
CID 44143381
4-(Benzyloxy)piperidine
CID 3157460
N-(cyclohexylmethyl)-2-[(2S,6R)-6-phenyloxan-2-yl]ethanamine
CID 164625324
HP 505
CID 191510
4-(2-Benzhydryloxy-ethyl)-1-(3-phenyl-propyl)-piperidine
CID 10409508

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine?
The IUPAC name of 3-[(R)-3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine (CID 67193827) is 3-[(R)-3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[(R)-3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine?
The canonical SMILES for 3-[(R)-3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine is COCCCO[C@@H](c1ccccc1CCc1ccccc1)C1CCCNC1.
What is the InChIKey of 3-[(R)-3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine?
The InChIKey is PFRRTZVMIIKIPD-SYIFMXBLSA-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 3-[(R)-3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine?
3-[(R)-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 3-[(R)-3-methoxypropoxy-[2-(2-phenylethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 67193827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).