(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone

C16H22FNO2 — CID 111436466

IUPAC(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone
SMILESCC(C)(O)CN1CCCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO2/c1-16(2,20)11-18-9-3-4-13(10-18)15(19)12-5-7-14(17)8-6-12/h5-8,13,20H,3-4,9-11H2,1-2H3
InChIKeyZFOPOSKTSSEENJ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.49
Rot. Bonds4

About (4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone

(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone (PubChem CID 111436466) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone
PubChem CID111436466
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Name(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone
SMILESCC(C)(O)CN1CCCC(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H22FNO2/c1-16(2,20)11-18-9-3-4-13(10-18)15(19)12-5-7-14(17)8-6-12/h5-8,13,20H,3-4,9-11H2,1-2H3
InChIKeyZFOPOSKTSSEENJ-UHFFFAOYSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 154746801
2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]ethanone
CID 119332026
N-[4-[2-[3-(4-fluorobenzoyl)piperidin-1-yl]acetyl]phenyl]methanesulfonamide
CID 18998847
[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 111113275
cyclohexyl-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]methanone
CID 69455656
N,N-diethyl-3-(4-fluorobenzoyl)piperidine-1-carboxamide
CID 110394813
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 78946871
(4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone
CID 97074751
(2R)-2-[(3S)-3-(4-fluorobenzoyl)piperidin-1-yl]propanoic acid
CID 100637681
[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 16671792
(2R)-2-amino-1-[3-(4-fluorobenzoyl)piperidin-1-yl]propan-1-one
CID 119332040
ethyl (3R)-1-(2-hydroxy-2-methylpropyl)piperidine-3-carboxylate
CID 81339381

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone (CID 111436466) is (4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone is CC(C)(O)CN1CCCC(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone?
The InChIKey is ZFOPOSKTSSEENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-16(2,20)11-18-9-3-4-13(10-18)15(19)12-5-7-14(17)8-6-12/h5-8,13,20H,3-4,9-11H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone?
(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone has a molecular weight of 279.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone is sourced from PubChem (CID 111436466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).