2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone

C14H17ClFNO2 — CID 162679483

IUPAC2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
SMILESO=C(CCl)N1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C14H17ClFNO2/c15-8-14(18)17-7-3-4-11(9-17)10-19-13-6-2-1-5-12(13)16/h1-2,5-6,11H,3-4,7-10H2
InChIKeyWUSNOSUOFNTIRA-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.68
Rot. Bonds4

About 2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone

2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone (PubChem CID 162679483) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
PubChem CID162679483
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
SMILESO=C(CCl)N1CCCC(COc2ccccc2F)C1
InChIInChI=1S/C14H17ClFNO2/c15-8-14(18)17-7-3-4-11(9-17)10-19-13-6-2-1-5-12(13)16/h1-2,5-6,11H,3-4,7-10H2
InChIKeyWUSNOSUOFNTIRA-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
2-chloro-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 162679482
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 110638619
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide
CID 119071247
1-[2-[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95860963
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
3-(2-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403252
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429453
[(3S)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 95885714
(5R)-5-[3-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 92582884
[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
CID 95897446

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone (CID 162679483) is 2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone is O=C(CCl)N1CCCC(COc2ccccc2F)C1.
What is the InChIKey of 2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone?
The InChIKey is WUSNOSUOFNTIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-8-14(18)17-7-3-4-11(9-17)10-19-13-6-2-1-5-12(13)16/h1-2,5-6,11H,3-4,7-10H2.
What are the key properties of 2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone?
2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone has a molecular weight of 285.75 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 162679483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).