1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone

C14H17ClFNO — CID 63395198

IUPAC1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCCC1CCl
InChIInChI=1S/C14H17ClFNO/c15-10-13-3-1-2-8-17(13)14(18)9-11-4-6-12(16)7-5-11/h4-7,13H,1-3,8-10H2
InChIKeyRXZODMLXAJUNAL-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.99
Rot. Bonds3

About 1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone

1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 63395198) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is 1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID63395198
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC Name1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCCCC1CCl
InChIInChI=1S/C14H17ClFNO/c15-10-13-3-1-2-8-17(13)14(18)9-11-4-6-12(16)7-5-11/h4-7,13H,1-3,8-10H2
InChIKeyRXZODMLXAJUNAL-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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-[2-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63395233
1-[2-(chloromethyl)azepan-1-yl]-2-(4-chlorophenyl)ethanone
CID 116639127
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 55187813
2-(4-bromophenyl)-1-[2-(chloromethyl)pyrrolidin-1-yl]ethanone
CID 55186103
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 55187621
1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63393969
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110871905
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 63394541
1-[2-(bromomethyl)piperidin-1-yl]-2-(4-bromophenyl)ethanone
CID 80659749
[2-(chloromethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 55186080
2-(4-hydroxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 14810985

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone (CID 63395198) is 1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCCCC1CCl.
What is the InChIKey of 1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is RXZODMLXAJUNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c15-10-13-3-1-2-8-17(13)14(18)9-11-4-6-12(16)7-5-11/h4-7,13H,1-3,8-10H2.
What are the key properties of 1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 269.75 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 63395198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).