(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone

C12H14FNO3 — CID 79883095

IUPAC(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc(F)ccc1O)N1CCCC(O)C1
InChIInChI=1S/C12H14FNO3/c13-8-3-4-11(16)10(6-8)12(17)14-5-1-2-9(15)7-14/h3-4,6,9,15-16H,1-2,5,7H2
InChIKeyLNXALSIPMNMKOR-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.13
Rot. Bonds1

About (5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone

(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 79883095) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is (5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID79883095
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc(F)ccc1O)N1CCCC(O)C1
InChIInChI=1S/C12H14FNO3/c13-8-3-4-11(16)10(6-8)12(17)14-5-1-2-9(15)7-14/h3-4,6,9,15-16H,1-2,5,7H2
InChIKeyLNXALSIPMNMKOR-UHFFFAOYSA-N
XLogP1.13
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032513
(5-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032502
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299541
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643
[3-(2-bromoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299572
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299398
4,5-difluoro-2-[(3S)-3-hydroxypiperidine-1-carbonyl]benzoic acid
CID 107214958
N-[4-fluoro-2-(3-hydroxypiperidine-1-carbonyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 110907403
(3-hydroxypiperidin-1-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 43502669
[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone (CID 79883095) is (5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone is O=C(c1cc(F)ccc1O)N1CCCC(O)C1.
What is the InChIKey of (5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is LNXALSIPMNMKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-8-3-4-11(16)10(6-8)12(17)14-5-1-2-9(15)7-14/h3-4,6,9,15-16H,1-2,5,7H2.
What are the key properties of (5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone?
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 239.25 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 79883095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).