[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone

C18H24FNO2 — CID 72870061

IUPAC[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)N1CC[C@@](O)(C2CCC2)[C@H](C)C1
InChIInChI=1S/C18H24FNO2/c1-12-10-15(19)6-7-16(12)17(21)20-9-8-18(22,13(2)11-20)14-4-3-5-14/h6-7,10,13-14,22H,3-5,8-9,11H2,1-2H3/t13-,18+/m1/s1
InChIKeyZLBSXVIOBFIVDJ-ACJLOTCBSA-N
MW305.39 g/mol
LogP3.15
Rot. Bonds2

About [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone

[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone (PubChem CID 72870061) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
PubChem CID72870061
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)N1CC[C@@](O)(C2CCC2)[C@H](C)C1
InChIInChI=1S/C18H24FNO2/c1-12-10-15(19)6-7-16(12)17(21)20-9-8-18(22,13(2)11-20)14-4-3-5-14/h6-7,10,13-14,22H,3-5,8-9,11H2,1-2H3/t13-,18+/m1/s1
InChIKeyZLBSXVIOBFIVDJ-ACJLOTCBSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone 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

(2,4-difluorophenyl)-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]methanone
CID 72840549
[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 72877584
[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 72927339
(3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 72847414
(4-fluoro-2-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103820490
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
(4-fluoro-2-methylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 112706029
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
5-[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 72867263
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 103820381
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(2-bromo-4-fluorophenyl)methanone
CID 81096047
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299183

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone (CID 72870061) is [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone is Cc1cc(F)ccc1C(=O)N1CC[C@@](O)(C2CCC2)[C@H](C)C1.
What is the InChIKey of [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is ZLBSXVIOBFIVDJ-ACJLOTCBSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-12-10-15(19)6-7-16(12)17(21)20-9-8-18(22,13(2)11-20)14-4-3-5-14/h6-7,10,13-14,22H,3-5,8-9,11H2,1-2H3/t13-,18+/m1/s1.
What are the key properties of [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 305.39 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 72870061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).