(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone

C13H16ClFN2O — CID 81265224

IUPAC(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cccc(Cl)c2F)C1
InChIInChI=1S/C13H16ClFN2O/c1-16-9-4-3-7-17(8-9)13(18)10-5-2-6-11(14)12(10)15/h2,5-6,9,16H,3-4,7-8H2,1H3
InChIKeyWWPHTULGKBCLMX-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.30
Rot. Bonds2

About (3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone

(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 81265224) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID81265224
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cccc(Cl)c2F)C1
InChIInChI=1S/C13H16ClFN2O/c1-16-9-4-3-7-17(8-9)13(18)10-5-2-6-11(14)12(10)15/h2,5-6,9,16H,3-4,7-8H2,1H3
InChIKeyWWPHTULGKBCLMX-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]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

(3-chloro-2-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 107098081
1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 81266012
azepan-1-yl-(3-chloro-2-fluorophenyl)methanone
CID 80949460
ethyl (3S)-1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylate
CID 81338377
(5-bromo-2-chlorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535972
[3-(methylamino)piperidin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 62536372
(4-amino-3-methylpiperidin-1-yl)-(3-chloro-2-fluorophenyl)methanone
CID 81266324
(2-chloro-4-iodophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489697
2-(2-chloro-6-fluorophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119493667
[3-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 81264813
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491888

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone (CID 81265224) is (3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2cccc(Cl)c2F)C1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is WWPHTULGKBCLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-16-9-4-3-7-17(8-9)13(18)10-5-2-6-11(14)12(10)15/h2,5-6,9,16H,3-4,7-8H2,1H3.
What are the key properties of (3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone?
(3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 270.73 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 81265224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).