[5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol

C18H22FNO3 — CID 95121456

IUPAC[5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCC[C@@H](COc3ccccc3F)C2)o1
InChIInChI=1S/C18H22FNO3/c19-17-5-1-2-6-18(17)22-13-14-4-3-9-20(10-14)11-15-7-8-16(12-21)23-15/h1-2,5-8,14,21H,3-4,9-13H2/t14-/m1/s1
InChIKeyNCHFHYIEZVIYBU-CQSZACIVSA-N
MW319.38 g/mol
LogP3.20
Rot. Bonds6

About [5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol

[5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol (PubChem CID 95121456) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is [5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
PubChem CID95121456
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC Name[5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2CCC[C@@H](COc3ccccc3F)C2)o1
InChIInChI=1S/C18H22FNO3/c19-17-5-1-2-6-18(17)22-13-14-4-3-9-20(10-14)11-15-7-8-16(12-21)23-15/h1-2,5-8,14,21H,3-4,9-13H2/t14-/m1/s1
InChIKeyNCHFHYIEZVIYBU-CQSZACIVSA-N
XLogP3.20
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 131940472
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891510
(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891509
3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248249
2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95718011
[5-[[3-(3,4-difluoroanilino)piperidin-1-yl]methyl]furan-2-yl]methanol
CID 45253063
3-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45227276
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92612861
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623

Frequently Asked Questions

What is the IUPAC name of [5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol (CID 95121456) is [5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol is OCc1ccc(CN2CCC[C@@H](COc3ccccc3F)C2)o1.
What is the InChIKey of [5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
The InChIKey is NCHFHYIEZVIYBU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22FNO3/c19-17-5-1-2-6-18(17)22-13-14-4-3-9-20(10-14)11-15-7-8-16(12-21)23-15/h1-2,5-8,14,21H,3-4,9-13H2/t14-/m1/s1.
What are the key properties of [5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol?
[5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol has a molecular weight of 319.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol is sourced from PubChem (CID 95121456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).