(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone

C12H13ClFNO2 — CID 115299535

IUPAC(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(F)ccc1O)N1CCC(Cl)CC1
InChIInChI=1S/C12H13ClFNO2/c13-8-3-5-15(6-4-8)12(17)10-7-9(14)1-2-11(10)16/h1-2,7-8,16H,3-6H2
InChIKeyJNVAZMVSAOWZRZ-UHFFFAOYSA-N
MW257.69 g/mol
LogP2.37
Rot. Bonds1

About (4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone

(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 115299535) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is (4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID115299535
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(F)ccc1O)N1CCC(Cl)CC1
InChIInChI=1S/C12H13ClFNO2/c13-8-3-5-15(6-4-8)12(17)10-7-9(14)1-2-11(10)16/h1-2,7-8,16H,3-6H2
InChIKeyJNVAZMVSAOWZRZ-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63390640
[3-(dimethylamino)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79881812
3-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-4-yl]propanoic acid
CID 115298494
[3-(2-chloroethyl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 114801111
(5-fluoro-2-hydroxyphenyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111664774
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115307142
1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid
CID 115298536
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299398
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299541
(5-fluoro-2-hydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 113281589
(5-fluoro-2-hydroxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 115299319

Frequently Asked Questions

What is the IUPAC name of (4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of (4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone (CID 115299535) is (4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for (4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for (4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone is O=C(c1cc(F)ccc1O)N1CCC(Cl)CC1.
What is the InChIKey of (4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is JNVAZMVSAOWZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-8-3-5-15(6-4-8)12(17)10-7-9(14)1-2-11(10)16/h1-2,7-8,16H,3-6H2.
What are the key properties of (4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone?
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 257.69 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 115299535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).