2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol

C14H20FN3O — CID 171999653

IUPAC2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol
SMILESCC1CN(C2CCC2O)CCN1c1cccc(F)n1
InChIInChI=1S/C14H20FN3O/c1-10-9-17(11-5-6-12(11)19)7-8-18(10)14-4-2-3-13(15)16-14/h2-4,10-12,19H,5-9H2,1H3
InChIKeyXIKRECXLKUCYEI-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.25
Rot. Bonds2

About 2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol

2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol (PubChem CID 171999653) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol
PubChem CID171999653
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol
SMILESCC1CN(C2CCC2O)CCN1c1cccc(F)n1
InChIInChI=1S/C14H20FN3O/c1-10-9-17(11-5-6-12(11)19)7-8-18(10)14-4-2-3-13(15)16-14/h2-4,10-12,19H,5-9H2,1H3
InChIKeyXIKRECXLKUCYEI-UHFFFAOYSA-N
XLogP1.25
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]propan-2-ol
CID 171999652
2-(2,4-dimethylpiperidin-1-yl)-6-fluoropyridine
CID 62330409
1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 82670139
N-tert-butyl-2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]acetamide
CID 172904884
1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol
CID 106670856
2-(2,3-dimethylpiperidin-1-yl)-6-fluoropyridine
CID 62123107
1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61444197
4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 172904932
1-(6-fluoro-2-pyridinyl)-4-(4-methoxy-3-methylphenyl)sulfonyl-2-methylpiperazine
CID 172882574
(1S,5S)-3-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octane
CID 98242120
2-(2,6-difluorophenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79931182
2-[6-(chloromethyl)-2-pyridinyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935118

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol?
The IUPAC name of 2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol (CID 171999653) is 2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol.
What is the SMILES notation for 2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol?
The canonical SMILES for 2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol is CC1CN(C2CCC2O)CCN1c1cccc(F)n1.
What is the InChIKey of 2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol?
The InChIKey is XIKRECXLKUCYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-10-9-17(11-5-6-12(11)19)7-8-18(10)14-4-2-3-13(15)16-14/h2-4,10-12,19H,5-9H2,1H3.
What are the key properties of 2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol?
2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol has a molecular weight of 265.33 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-2-pyridinyl)-3-methylpiperazin-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 171999653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).