(4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone

C12H12ClF2NO2 — CID 82772050

IUPAC(4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc(F)c(Cl)cc1F)N1CCC(O)CC1
InChIInChI=1S/C12H12ClF2NO2/c13-9-6-10(14)8(5-11(9)15)12(18)16-3-1-7(17)2-4-16/h5-7,17H,1-4H2
InChIKeyYPPBZPIYVHZMBN-UHFFFAOYSA-N
MW275.68 g/mol
LogP2.22
Rot. Bonds1

About (4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone

(4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 82772050) has the molecular formula C12H12ClF2NO2 and a molecular weight of 275.68 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID82772050
Molecular FormulaC12H12ClF2NO2
Molecular Weight275.68 g/mol
Exact Mass275.05
IUPAC Name(4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc(F)c(Cl)cc1F)N1CCC(O)CC1
InChIInChI=1S/C12H12ClF2NO2/c13-9-6-10(14)8(5-11(9)15)12(18)16-3-1-7(17)2-4-16/h5-7,17H,1-4H2
InChIKeyYPPBZPIYVHZMBN-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.68
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 82772045
(4-chloro-2,5-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 82772196
(4-chloro-2,5-difluorophenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 82771946
[3-(2-aminoethyl)piperidin-1-yl]-(4-chloro-2,5-difluorophenyl)methanone
CID 82771490
(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 875976
[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 111824456
1-(4-chloro-2,5-difluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 82773087
[1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 52718033
2-[1-(2-chloro-4,5-difluorobenzoyl)piperidin-4-yl]acetic acid
CID 78979755
[2-(bromomethyl)morpholin-4-yl]-(4-chloro-2,5-difluorophenyl)methanone
CID 82771247
(2,4-dichloro-5-fluorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371519
(4-chloro-2-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 43391684

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone (CID 82772050) is (4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone is O=C(c1cc(F)c(Cl)cc1F)N1CCC(O)CC1.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is YPPBZPIYVHZMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO2/c13-9-6-10(14)8(5-11(9)15)12(18)16-3-1-7(17)2-4-16/h5-7,17H,1-4H2.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone?
(4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 275.68 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 82772050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).