(5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine

C19H22FNO — CID 130275873

IUPAC(5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine
SMILESFC1C[C@@H](OCc2ccccc2)CN(Cc2ccccc2)C1
InChIInChI=1S/C19H22FNO/c20-18-11-19(22-15-17-9-5-2-6-10-17)14-21(13-18)12-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2/t18?,19-/m1/s1
InChIKeyJNFBLYOXYVPKBT-MUMRKEEXSA-N
MW299.39 g/mol
LogP3.82
Rot. Bonds5

About (5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine

(5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine (PubChem CID 130275873) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is (5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine.

Molecular Properties

Compound Name(5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine
PubChem CID130275873
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name(5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine
SMILESFC1C[C@@H](OCc2ccccc2)CN(Cc2ccccc2)C1
InChIInChI=1S/C19H22FNO/c20-18-11-19(22-15-17-9-5-2-6-10-17)14-21(13-18)12-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2/t18?,19-/m1/s1
InChIKeyJNFBLYOXYVPKBT-MUMRKEEXSA-N
XLogP3.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-benzyl-5-fluoropiperidin-3-ol;ethane
CID 156839971
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
3-phenylmethoxyazetidine-1-sulfonyl fluoride
CID 134969133
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
CID 67957108
(1S,5S)-3-benzyl-3,6-diazabicyclo[3.1.1]heptane
CID 98061344
1-methyl-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 20692683

Frequently Asked Questions

What is the IUPAC name of (5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine?
The IUPAC name of (5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine (CID 130275873) is (5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine.
What is the SMILES notation for (5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine?
The canonical SMILES for (5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine is FC1C[C@@H](OCc2ccccc2)CN(Cc2ccccc2)C1.
What is the InChIKey of (5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine?
The InChIKey is JNFBLYOXYVPKBT-MUMRKEEXSA-N. The full InChI is InChI=1S/C19H22FNO/c20-18-11-19(22-15-17-9-5-2-6-10-17)14-21(13-18)12-16-7-3-1-4-8-16/h1-10,18-19H,11-15H2/t18?,19-/m1/s1.
What are the key properties of (5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine?
(5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine has a molecular weight of 299.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-benzyl-3-fluoro-5-phenylmethoxypiperidine is sourced from PubChem (CID 130275873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).