1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone

C14H17ClFNO — CID 63393016

IUPAC1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCCC(CCl)C1
InChIInChI=1S/C14H17ClFNO/c15-9-11-4-3-7-17(10-11)14(18)8-12-5-1-2-6-13(12)16/h1-2,5-6,11H,3-4,7-10H2
InChIKeyGDANYLPNOSSTPG-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.85
Rot. Bonds3

About 1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone

1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 63393016) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
PubChem CID63393016
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)N1CCCC(CCl)C1
InChIInChI=1S/C14H17ClFNO/c15-9-11-4-3-7-17(10-11)14(18)8-12-5-1-2-6-13(12)16/h1-2,5-6,11H,3-4,7-10H2
InChIKeyGDANYLPNOSSTPG-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.85
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

1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 80740906
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 55187621
2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150037
1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63396274
2-(2-fluorophenyl)-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125003518
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-(2-fluorophenyl)ethanone
CID 110797870
2-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103994
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
2-(2-fluorophenyl)-1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 95097748
2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone;hydrochloride
CID 120727493
2-(2-chlorophenyl)-1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 94796002

Frequently Asked Questions

What is the IUPAC name of 1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone (CID 63393016) is 1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone is O=C(Cc1ccccc1F)N1CCCC(CCl)C1.
What is the InChIKey of 1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is GDANYLPNOSSTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-9-11-4-3-7-17(10-11)14(18)8-12-5-1-2-6-13(12)16/h1-2,5-6,11H,3-4,7-10H2.
What are the key properties of 1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 269.75 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 63393016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).