[2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone

C13H14ClF2NO — CID 55186080

IUPAC[2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCCCC1CCl
InChIInChI=1S/C13H14ClF2NO/c14-8-10-3-1-2-6-17(10)13(18)11-5-4-9(15)7-12(11)16/h4-5,7,10H,1-3,6,8H2
InChIKeyGITRXTXTPKUOJA-UHFFFAOYSA-N
MW273.71 g/mol
LogP3.20
Rot. Bonds2

About [2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone

[2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone (PubChem CID 55186080) has the molecular formula C13H14ClF2NO and a molecular weight of 273.71 g/mol. Its IUPAC name is [2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
PubChem CID55186080
Molecular FormulaC13H14ClF2NO
Molecular Weight273.71 g/mol
Exact Mass273.07
IUPAC Name[2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCCCC1CCl
InChIInChI=1S/C13H14ClF2NO/c14-8-10-3-1-2-6-17(10)13(18)11-5-4-9(15)7-12(11)16/h4-5,7,10H,1-3,6,8H2
InChIKeyGITRXTXTPKUOJA-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)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

[2-(chloromethyl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 79757723
(2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 79549414
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
[2-(bromomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 80658555
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015808
[2-(chloromethyl)piperidin-1-yl]-(2,5-dihydroxyphenyl)methanone
CID 107725782
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 113265487
(2,4-difluorophenyl)-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 94813326
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63398395
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
1-(2,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016788
(2,4-difluorophenyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 79539007

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone (CID 55186080) is [2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone is O=C(c1ccc(F)cc1F)N1CCCCC1CCl.
What is the InChIKey of [2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is GITRXTXTPKUOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO/c14-8-10-3-1-2-6-17(10)13(18)11-5-4-9(15)7-12(11)16/h4-5,7,10H,1-3,6,8H2.
What are the key properties of [2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone?
[2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 273.71 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 55186080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).