3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine

C22H29NO2 — CID 67193405

IUPAC3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine
SMILESCOCCCO[C@@H](c1ccccc1-c1ccccc1)C1CCCNC1
InChIInChI=1S/C22H29NO2/c1-24-15-8-16-25-22(19-11-7-14-23-17-19)21-13-6-5-12-20(21)18-9-3-2-4-10-18/h2-6,9-10,12-13,19,22-23H,7-8,11,14-17H2,1H3/t19?,22-/m1/s1
InChIKeyWUNCDRABLMACPP-AVKWCDSFSA-N
MW339.48 g/mol
LogP4.45
Rot. Bonds8

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

3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine (PubChem CID 67193405) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine
PubChem CID67193405
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine
SMILESCOCCCO[C@@H](c1ccccc1-c1ccccc1)C1CCCNC1
InChIInChI=1S/C22H29NO2/c1-24-15-8-16-25-22(19-11-7-14-23-17-19)21-13-6-5-12-20(21)18-9-3-2-4-10-18/h2-6,9-10,12-13,19,22-23H,7-8,11,14-17H2,1H3/t19?,22-/m1/s1
InChIKeyWUNCDRABLMACPP-AVKWCDSFSA-N
XLogP4.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.45
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

3-[(R)-3-methoxypropoxy-(2-prop-2-enylphenyl)methyl]piperidine
CID 67191204
(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine
CID 67190399
3-[4-methoxybutoxy(phenyl)methyl]piperidine;4-methoxy-1-phenyl-1-piperidin-3-ylbutan-1-ol
CID 69470017
2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol
CID 70639511
(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
CID 67190238
3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine
CID 57419610
(3R)-3-[(R)-[2-(2-cyclopropylethynyl)phenyl]-(3-methoxypropoxy)methyl]piperidine;(1S)-5-methoxy-1-[(3R)-piperidin-3-yl]-1-quinolin-8-ylpentan-1-ol
CID 158206424
(3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine
CID 67192571
methyl N-[2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethyl]carbamate
CID 68715059
2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine
CID 68596518
2-[(3-chloro-2-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68711452
N-[2-(2-phenylphenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119754365

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine?
The IUPAC name of 3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine (CID 67193405) is 3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine is COCCCO[C@@H](c1ccccc1-c1ccccc1)C1CCCNC1.
What is the InChIKey of 3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine?
The InChIKey is WUNCDRABLMACPP-AVKWCDSFSA-N. The full InChI is InChI=1S/C22H29NO2/c1-24-15-8-16-25-22(19-11-7-14-23-17-19)21-13-6-5-12-20(21)18-9-3-2-4-10-18/h2-6,9-10,12-13,19,22-23H,7-8,11,14-17H2,1H3/t19?,22-/m1/s1.
What are the key properties of 3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine?
3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine has a molecular weight of 339.48 g/mol, XLogP of 4.45, 8 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-phenylphenyl)methyl]piperidine is sourced from PubChem (CID 67193405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).