[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone

C13H15ClFNO2 — CID 115299541

IUPAC[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(F)ccc1O)N1CCCC(CCl)C1
InChIInChI=1S/C13H15ClFNO2/c14-7-9-2-1-5-16(8-9)13(18)11-6-10(15)3-4-12(11)17/h3-4,6,9,17H,1-2,5,7-8H2
InChIKeyVJMGDBOBHOSLOO-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.62
Rot. Bonds2

About [3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone

[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 115299541) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is [3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID115299541
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESO=C(c1cc(F)ccc1O)N1CCCC(CCl)C1
InChIInChI=1S/C13H15ClFNO2/c14-7-9-2-1-5-16(8-9)13(18)11-6-10(15)3-4-12(11)17/h3-4,6,9,17H,1-2,5,7-8H2
InChIKeyVJMGDBOBHOSLOO-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-bromoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299572
[3-(2-chloroethyl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 114801111
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
(5-fluoro-2-hydroxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 115299319
[3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299657
[3-(dimethylamino)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 79523643
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
[3-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64955803
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63392881
(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 43430151
[3-(chloromethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63393374
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of [3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone (CID 115299541) is [3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for [3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone is O=C(c1cc(F)ccc1O)N1CCCC(CCl)C1.
What is the InChIKey of [3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is VJMGDBOBHOSLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-7-9-2-1-5-16(8-9)13(18)11-6-10(15)3-4-12(11)17/h3-4,6,9,17H,1-2,5,7-8H2.
What are the key properties of [3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 271.72 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 115299541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).