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

C13H14ClF2NO — CID 63398395

IUPAC[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCC(CCl)CC1
InChIInChI=1S/C13H14ClF2NO/c14-8-9-3-5-17(6-4-9)13(18)11-2-1-10(15)7-12(11)16/h1-2,7,9H,3-6,8H2
InChIKeyGZMGOJPIASJMHD-UHFFFAOYSA-N
MW273.71 g/mol
LogP3.06
Rot. Bonds2

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

[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone (PubChem CID 63398395) has the molecular formula C13H14ClF2NO and a molecular weight of 273.71 g/mol. Its IUPAC name is [4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
PubChem CID63398395
Molecular FormulaC13H14ClF2NO
Molecular Weight273.71 g/mol
Exact Mass273.07
IUPAC Name[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1F)N1CCC(CCl)CC1
InChIInChI=1S/C13H14ClF2NO/c14-8-9-3-5-17(6-4-9)13(18)11-2-1-10(15)7-12(11)16/h1-2,7,9H,3-6,8H2
InChIKeyGZMGOJPIASJMHD-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
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

(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
(4-chloro-2-hydroxyphenyl)-[4-(chloromethyl)piperidin-1-yl]methanone
CID 63398279
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
(2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585099
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
(3-bromopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 80677225
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559484
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]propanamide
CID 108562134

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone (CID 63398395) is [4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone is O=C(c1ccc(F)cc1F)N1CCC(CCl)CC1.
What is the InChIKey of [4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone?
The InChIKey is GZMGOJPIASJMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO/c14-8-9-3-5-17(6-4-9)13(18)11-2-1-10(15)7-12(11)16/h1-2,7,9H,3-6,8H2.
What are the key properties of [4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone?
[4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone has a molecular weight of 273.71 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 63398395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).