(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone

C12H12Cl2FNO — CID 55187226

IUPAC(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCCC(Cl)C1
InChIInChI=1S/C12H12Cl2FNO/c13-8-3-4-11(15)10(6-8)12(17)16-5-1-2-9(14)7-16/h3-4,6,9H,1-2,5,7H2
InChIKeyNLERHABXWFMLKG-UHFFFAOYSA-N
MW276.14 g/mol
LogP3.32
Rot. Bonds1

About (5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone

(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone (PubChem CID 55187226) has the molecular formula C12H12Cl2FNO and a molecular weight of 276.14 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone
PubChem CID55187226
Molecular FormulaC12H12Cl2FNO
Molecular Weight276.14 g/mol
Exact Mass275.03
IUPAC Name(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCCC(Cl)C1
InChIInChI=1S/C12H12Cl2FNO/c13-8-3-4-11(15)10(6-8)12(17)16-5-1-2-9(14)7-16/h3-4,6,9H,1-2,5,7H2
InChIKeyNLERHABXWFMLKG-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372699
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041378
(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 45192484
(5-chloro-2-fluorophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396090
(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165270
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
(3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 113415072
(5-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032502
(3-aminopiperidin-1-yl)-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119377764

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone (CID 55187226) is (5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone is O=C(c1cc(Cl)ccc1F)N1CCCC(Cl)C1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone?
The InChIKey is NLERHABXWFMLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FNO/c13-8-3-4-11(15)10(6-8)12(17)16-5-1-2-9(14)7-16/h3-4,6,9H,1-2,5,7H2.
What are the key properties of (5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone?
(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone has a molecular weight of 276.14 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone is sourced from PubChem (CID 55187226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).