(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone

C18H18FNO2 — CID 146427603

IUPAC(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(O)c(F)c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H18FNO2/c19-16-12-15(6-7-17(16)21)18(22)20-10-8-14(9-11-20)13-4-2-1-3-5-13/h1-7,12,14,21H,8-11H2
InChIKeyXFBXQAVJKPCNSR-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.55
Rot. Bonds2

About (3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone

(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 146427603) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID146427603
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(O)c(F)c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H18FNO2/c19-16-12-15(6-7-17(16)21)18(22)20-10-8-14(9-11-20)13-4-2-1-3-5-13/h1-7,12,14,21H,8-11H2
InChIKeyXFBXQAVJKPCNSR-UHFFFAOYSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione
CID 633858
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(5-hydroxy-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 63859040
[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3-fluorophenyl]-(4-phenylpiperidin-1-yl)methanone
CID 146417808
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
(3-fluoro-4-hydroxyphenyl)-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 154818101
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902
(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
CID 121146218
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone (CID 146427603) is (3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone is O=C(c1ccc(O)c(F)c1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is XFBXQAVJKPCNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c19-16-12-15(6-7-17(16)21)18(22)20-10-8-14(9-11-20)13-4-2-1-3-5-13/h1-7,12,14,21H,8-11H2.
What are the key properties of (3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone?
(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 299.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 146427603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).