(3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine

C17H26FNO2 — CID 67192571

IUPAC(3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine
SMILESCCOCCCO[C@@H](c1cccc(F)c1)[C@@H]1CCCNC1
InChIInChI=1S/C17H26FNO2/c1-2-20-10-5-11-21-17(15-7-4-9-19-13-15)14-6-3-8-16(18)12-14/h3,6,8,12,15,17,19H,2,4-5,7,9-11,13H2,1H3/t15-,17+/m1/s1
InChIKeyDRBOOWFRMMTJRK-WBVHZDCISA-N
MW295.40 g/mol
LogP3.31
Rot. Bonds8

About (3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine

(3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine (PubChem CID 67192571) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is (3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine
PubChem CID67192571
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name(3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine
SMILESCCOCCCO[C@@H](c1cccc(F)c1)[C@@H]1CCCNC1
InChIInChI=1S/C17H26FNO2/c1-2-20-10-5-11-21-17(15-7-4-9-19-13-15)14-6-3-8-16(18)12-14/h3,6,8,12,15,17,19H,2,4-5,7,9-11,13H2,1H3/t15-,17+/m1/s1
InChIKeyDRBOOWFRMMTJRK-WBVHZDCISA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.31
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

(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine
CID 67190399
(3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine
CID 69468005
3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine
CID 57419610
2-[(3-fluorophenyl)-[(3R)-piperidin-3-yl]methoxy]ethylcarbamic acid
CID 68715376
(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
CID 67190238
(3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine-1-carboxamide
CID 67190425
3-[4-methoxybutoxy(phenyl)methyl]piperidine;4-methoxy-1-phenyl-1-piperidin-3-ylbutan-1-ol
CID 69470017
3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine
CID 67193405
2-[(2,3-difluorophenyl)-piperidin-3-ylmethoxy]ethanol
CID 70639511
3-fluoro-N-methyl-N-(3-piperidin-3-ylbutyl)aniline
CID 81045794
3-[1-(4-fluorophenyl)propyl]piperidine
CID 83910611
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine?
The IUPAC name of (3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine (CID 67192571) is (3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine.
What is the SMILES notation for (3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine?
The canonical SMILES for (3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine is CCOCCCO[C@@H](c1cccc(F)c1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine?
The InChIKey is DRBOOWFRMMTJRK-WBVHZDCISA-N. The full InChI is InChI=1S/C17H26FNO2/c1-2-20-10-5-11-21-17(15-7-4-9-19-13-15)14-6-3-8-16(18)12-14/h3,6,8,12,15,17,19H,2,4-5,7,9-11,13H2,1H3/t15-,17+/m1/s1.
What are the key properties of (3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine?
(3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine has a molecular weight of 295.40 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 67192571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).