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

C19H20FNO2 — CID 70744880

IUPAC[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c1-13-16(5-4-7-18(13)22)19(23)21-12-3-2-6-17(21)14-8-10-15(20)11-9-14/h4-5,7-11,17,22H,2-3,6,12H2,1H3
InChIKeyCWVVWBLJVNKKLV-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.21
Rot. Bonds2

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

[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone (PubChem CID 70744880) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is [2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
PubChem CID70744880
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C19H20FNO2/c1-13-16(5-4-7-18(13)22)19(23)21-12-3-2-6-17(21)14-8-10-15(20)11-9-14/h4-5,7-11,17,22H,2-3,6,12H2,1H3
InChIKeyCWVVWBLJVNKKLV-UHFFFAOYSA-N
XLogP4.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 50747061
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone;hydrochloride
CID 120637115
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829954
[2-(chloromethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830458
5-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70770514
[2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 70754050
[2-(4-fluorophenyl)piperidin-1-yl]-(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 131911013
(3-amino-2-methylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 43575481
[2-(4-fluorophenyl)piperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 70772344
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
(2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone
CID 102555243
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone (CID 70744880) is [2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone is Cc1c(O)cccc1C(=O)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The InChIKey is CWVVWBLJVNKKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13-16(5-4-7-18(13)22)19(23)21-12-3-2-6-17(21)14-8-10-15(20)11-9-14/h4-5,7-11,17,22H,2-3,6,12H2,1H3.
What are the key properties of [2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
[2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone has a molecular weight of 313.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 70744880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).