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

C15H19ClFNO — CID 63393969

IUPAC1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCCCC1CCCl
InChIInChI=1S/C15H19ClFNO/c16-8-7-14-6-1-2-9-18(14)15(19)11-12-4-3-5-13(17)10-12/h3-5,10,14H,1-2,6-9,11H2
InChIKeyASGVUQYVUKZYFN-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.38
Rot. Bonds4

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

1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 63393969) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
PubChem CID63393969
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCCCC1CCCl
InChIInChI=1S/C15H19ClFNO/c16-8-7-14-6-1-2-9-18(14)15(19)11-12-4-3-5-13(17)10-12/h3-5,10,14H,1-2,6-9,11H2
InChIKeyASGVUQYVUKZYFN-UHFFFAOYSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.38
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-[(2S)-1-[2-(3-fluorophenyl)acetyl]piperidin-2-yl]acetamide
CID 95294234
1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 47079509
2-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 50747082
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 94080637
1-[2-(chloromethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 63395198
2-(3-fluorophenyl)-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129427864
1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 55808363
(2S)-2-[2-(3-fluorophenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 90117469
2-(3-fluorophenyl)-1-(2-piperidin-4-ylpyrrolidin-1-yl)ethanone
CID 60979358
2-(3-fluorophenyl)-1-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
CID 93394778
N-[(3-fluorophenyl)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108898597
2-(3-fluorophenyl)-1-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 94627618

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone (CID 63393969) is 1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone is O=C(Cc1cccc(F)c1)N1CCCCC1CCCl.
What is the InChIKey of 1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
The InChIKey is ASGVUQYVUKZYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c16-8-7-14-6-1-2-9-18(14)15(19)11-12-4-3-5-13(17)10-12/h3-5,10,14H,1-2,6-9,11H2.
What are the key properties of 1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone?
1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 283.77 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 63393969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).