[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone

C17H18FNO3 — CID 126469323

IUPAC[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC[C@@H]([C@@H](O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H18FNO3/c18-14-7-5-12(6-8-14)16(20)13-3-1-9-19(11-13)17(21)15-4-2-10-22-15/h2,4-8,10,13,16,20H,1,3,9,11H2/t13-,16+/m1/s1
InChIKeyKJSWMEJSVLBUOG-CJNGLKHVSA-N
MW303.33 g/mol
LogP3.00
Rot. Bonds3

About [(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone

[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 126469323) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is [(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID126469323
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Name[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC[C@@H]([C@@H](O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H18FNO3/c18-14-7-5-12(6-8-14)16(20)13-3-1-9-19(11-13)17(21)15-4-2-10-22-15/h2,4-8,10,13,16,20H,1,3,9,11H2/t13-,16+/m1/s1
InChIKeyKJSWMEJSVLBUOG-CJNGLKHVSA-N
XLogP3.00
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]-(furan-2-yl)methanone
CID 42844110
[4-(dimethylamino)phenyl]-[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 16671625
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547
N-(4-fluorophenyl)-5-[1-(furan-2-carbonyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50817034
(4-fluorophenyl)-(1-methylpiperidin-3-yl)methanol
CID 142412324
[3-[(R)-hydroxy-(4-methylphenyl)methyl]piperidin-1-yl]-phenylmethanone
CID 146542038
azepan-1-yl(furan-2-yl)methanone
CID 5200992
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]furan-2-carboxamide
CID 51951454
1-(2,4-difluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 131914213
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone (CID 126469323) is [(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC[C@@H]([C@@H](O)c2ccc(F)cc2)C1.
What is the InChIKey of [(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is KJSWMEJSVLBUOG-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H18FNO3/c18-14-7-5-12(6-8-14)16(20)13-3-1-9-19(11-13)17(21)15-4-2-10-22-15/h2,4-8,10,13,16,20H,1,3,9,11H2/t13-,16+/m1/s1.
What are the key properties of [(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone?
[(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 303.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 126469323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).