[4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C19H26FNO2 — CID 170373442

IUPAC[4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCc1cc(CC2CCN(C(=O)C3CC(C)(O)C3)CC2)ccc1F
InChIInChI=1S/C19H26FNO2/c1-13-9-15(3-4-17(13)20)10-14-5-7-21(8-6-14)18(22)16-11-19(2,23)12-16/h3-4,9,14,16,23H,5-8,10-12H2,1-2H3
InChIKeyFQYKQZPYGWXXQW-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.08
Rot. Bonds3

About [4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 170373442) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is [4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID170373442
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name[4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCc1cc(CC2CCN(C(=O)C3CC(C)(O)C3)CC2)ccc1F
InChIInChI=1S/C19H26FNO2/c1-13-9-15(3-4-17(13)20)10-14-5-7-21(8-6-14)18(22)16-11-19(2,23)12-16/h3-4,9,14,16,23H,5-8,10-12H2,1-2H3
InChIKeyFQYKQZPYGWXXQW-UHFFFAOYSA-N
XLogP3.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710080
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
(3-hydroxy-3-methylcyclobutyl)-[4-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]methanone
CID 170373413
(1-aminocyclobutyl)-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171709660
(3-hydroxy-3-methylcyclobutyl)-[4-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]piperidin-1-yl]methanone
CID 170373903
1-[3-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 166623630
[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 171712163
N-[4-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
CID 166621951
1-[4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-2-hydroxyethanone
CID 122138939
1-[3-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 166624175
(3-hydroxy-3-methylcyclobutyl)-[6-[(3-methylphenyl)methyl]-2-azaspiro[3.4]octan-2-yl]methanone
CID 164710119
4-[(4-bromo-3-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 67000077

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 170373442) is [4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is Cc1cc(CC2CCN(C(=O)C3CC(C)(O)C3)CC2)ccc1F.
What is the InChIKey of [4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is FQYKQZPYGWXXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-13-9-15(3-4-17(13)20)10-14-5-7-21(8-6-14)18(22)16-11-19(2,23)12-16/h3-4,9,14,16,23H,5-8,10-12H2,1-2H3.
What are the key properties of [4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 319.42 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluoro-3-methylphenyl)methyl]piperidin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 170373442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).