4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine

C19H28FNO3 — CID 100668376

IUPAC4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine
SMILESFc1ccccc1COC1CCN(CCO[C@@H]2CCCCO2)CC1
InChIInChI=1S/C19H28FNO3/c20-18-6-2-1-5-16(18)15-24-17-8-10-21(11-9-17)12-14-23-19-7-3-4-13-22-19/h1-2,5-6,17,19H,3-4,7-15H2/t19-/m1/s1
InChIKeyMRPTWLNNNMBSHF-LJQANCHMSA-N
MW337.44 g/mol
LogP3.35
Rot. Bonds7

About 4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine

4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine (PubChem CID 100668376) has the molecular formula C19H28FNO3 and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine
PubChem CID100668376
Molecular FormulaC19H28FNO3
Molecular Weight337.44 g/mol
Exact Mass337.21
IUPAC Name4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine
SMILESFc1ccccc1COC1CCN(CCO[C@@H]2CCCCO2)CC1
InChIInChI=1S/C19H28FNO3/c20-18-6-2-1-5-16(18)15-24-17-8-10-21(11-9-17)12-14-23-19-7-3-4-13-22-19/h1-2,5-6,17,19H,3-4,7-15H2/t19-/m1/s1
InChIKeyMRPTWLNNNMBSHF-LJQANCHMSA-N
XLogP3.35
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-[4-[2-(oxan-2-yloxy)ethyl]piperazin-1-yl]ethanone
CID 86789179
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine
CID 115300577
2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 166240280
2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol
CID 63312916
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
6-(2-fluorophenyl)-2-[2-[(2S)-oxan-2-yl]oxyethyl]pyridazin-3-one
CID 99842273
5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-4-methyl-1,3-oxazole
CID 126829118
benzyl 4-[2-(oxan-2-yloxy)ethoxy]piperidine-1-carboxylate
CID 58495700
5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 167909565
(2R)-2-[(2-fluorophenyl)methyl]-3-(oxan-2-yloxy)propanenitrile
CID 151001628

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine?
The IUPAC name of 4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine (CID 100668376) is 4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine.
What is the SMILES notation for 4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine?
The canonical SMILES for 4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine is Fc1ccccc1COC1CCN(CCO[C@@H]2CCCCO2)CC1.
What is the InChIKey of 4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine?
The InChIKey is MRPTWLNNNMBSHF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28FNO3/c20-18-6-2-1-5-16(18)15-24-17-8-10-21(11-9-17)12-14-23-19-7-3-4-13-22-19/h1-2,5-6,17,19H,3-4,7-15H2/t19-/m1/s1.
What are the key properties of 4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine?
4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine has a molecular weight of 337.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine is sourced from PubChem (CID 100668376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).