(6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C14H20FN3O — CID 63979723

IUPAC(6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccc(F)nc2)CC1
InChIInChI=1S/C14H20FN3O/c1-11(2)10-17-5-7-18(8-6-17)14(19)12-3-4-13(15)16-9-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyXYIDZOOZWASZFP-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.63
Rot. Bonds3

About (6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 63979723) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is (6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID63979723
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name(6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccc(F)nc2)CC1
InChIInChI=1S/C14H20FN3O/c1-11(2)10-17-5-7-18(8-6-17)14(19)12-3-4-13(15)16-9-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyXYIDZOOZWASZFP-UHFFFAOYSA-N
XLogP1.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-hydrazinyl-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62777869
(6-fluoro-3-pyridinyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 63979493
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831579
8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-pyridinyl)methanone
CID 63977651
(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62953905
3-azaspiro[5.5]undecan-3-yl-(6-fluoro-3-pyridinyl)methanone
CID 63978997
(6-fluoro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 63979575
(3-amino-4-chlorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60963176
methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate
CID 63973141
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 63979723) is (6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2ccc(F)nc2)CC1.
What is the InChIKey of (6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is XYIDZOOZWASZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-11(2)10-17-5-7-18(8-6-17)14(19)12-3-4-13(15)16-9-12/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of (6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 265.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 63979723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).