[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone

C16H16FN3O — CID 120737504

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H16FN3O/c17-13-5-3-4-12(10-13)15-11-18-8-9-20(15)16(21)14-6-1-2-7-19-14/h1-7,10,15,18H,8-9,11H2
InChIKeyUSMPORQSGWPEOV-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.01
Rot. Bonds2

About [2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone

[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 120737504) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID120737504
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C16H16FN3O/c17-13-5-3-4-12(10-13)15-11-18-8-9-20(15)16(21)14-6-1-2-7-19-14/h1-7,10,15,18H,8-9,11H2
InChIKeyUSMPORQSGWPEOV-UHFFFAOYSA-N
XLogP2.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 120735841
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
(3-aminopyrazin-2-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120737871
[2-(3-fluorophenyl)piperazin-1-yl]-(2-piperidin-1-ylpyrimidin-4-yl)methanone;dihydrochloride
CID 120735828
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735632
(5-cyclopropyl-1-methylpyrazol-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737538
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120736920
[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120736351
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
(5-bromothiophen-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737625

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone (CID 120737504) is [2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is USMPORQSGWPEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-13-5-3-4-12(10-13)15-11-18-8-9-20(15)16(21)14-6-1-2-7-19-14/h1-7,10,15,18H,8-9,11H2.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone?
[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 285.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 120737504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).