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

C13H15ClFNO — CID 60674863

IUPAC(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C13H15ClFNO/c1-9-3-2-6-16(8-9)13(17)11-7-10(14)4-5-12(11)15/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyOMYYZEORLIJQHS-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.35
Rot. Bonds1

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

(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 60674863) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
PubChem CID60674863
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C13H15ClFNO/c1-9-3-2-6-16(8-9)13(17)11-7-10(14)4-5-12(11)15/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyOMYYZEORLIJQHS-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(5-chloro-2-fluorophenyl)-(3-chloropiperidin-1-yl)methanone
CID 55187226
(5-chloro-2-nitrophenyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 1220180
1-(5-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041378
(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-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165270
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78776798
(3-tert-butylpyrrolidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 113415072
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone (CID 60674863) is (5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc(Cl)ccc2F)C1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is OMYYZEORLIJQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-9-3-2-6-16(8-9)13(17)11-7-10(14)4-5-12(11)15/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of (5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone?
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 255.72 g/mol, XLogP of 3.35, 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-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 60674863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).