(2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone

C12H13FN2O4 — CID 54980290

IUPAC(2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(O)CC1
InChIInChI=1S/C12H13FN2O4/c13-11-7-8(15(18)19)1-2-10(11)12(17)14-5-3-9(16)4-6-14/h1-2,7,9,16H,3-6H2
InChIKeyBWQWVZXBLPNEFB-UHFFFAOYSA-N
MW268.24 g/mol
LogP1.33
Rot. Bonds2

About (2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone

(2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 54980290) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is (2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID54980290
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name(2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(O)CC1
InChIInChI=1S/C12H13FN2O4/c13-11-7-8(15(18)19)1-2-10(11)12(17)14-5-3-9(16)4-6-14/h1-2,7,9,16H,3-6H2
InChIKeyBWQWVZXBLPNEFB-UHFFFAOYSA-N
XLogP1.33
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-4-nitrobenzoyl)pyrrolidine-3-carboxylic acid
CID 63032345
(2-fluoro-4-nitrophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250522
(4-amino-3-ethylpiperidin-1-yl)-(2-fluoro-4-nitrophenyl)methanone
CID 81451789
(2-fluoro-4-nitrophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535777
(2-fluoro-4-nitrophenyl)-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 95616214
[3-(chloromethyl)piperidin-1-yl]-(2-fluoro-4-nitrophenyl)methanone
CID 63392884
(4-chloro-2-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 43391684
(2R)-1-(2-fluoro-4-nitrobenzoyl)pyrrolidine-2-carboxylic acid
CID 78922399
(2-fluoro-5-nitrophenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835769
(2R,4R)-1-(2-fluoro-4-nitrobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000643
(2-fluoro-4-nitrophenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115874836
(2-fluoro-4-nitrophenyl)-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 4999895

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone (CID 54980290) is (2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone is O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC(O)CC1.
What is the InChIKey of (2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is BWQWVZXBLPNEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c13-11-7-8(15(18)19)1-2-10(11)12(17)14-5-3-9(16)4-6-14/h1-2,7,9,16H,3-6H2.
What are the key properties of (2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone?
(2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 268.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 54980290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).