(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone

C16H23FN2O — CID 82248799

IUPAC(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone
SMILESCC(C)C1CNC(C)(C)CN1C(=O)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-11(2)14-9-18-16(3,4)10-19(14)15(20)12-6-5-7-13(17)8-12/h5-8,11,14,18H,9-10H2,1-4H3
InChIKeyRSKOZTTVUOYLOD-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.67
Rot. Bonds2

About (5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone

(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone (PubChem CID 82248799) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone
PubChem CID82248799
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone
SMILESCC(C)C1CNC(C)(C)CN1C(=O)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-11(2)14-9-18-16(3,4)10-19(14)15(20)12-6-5-7-13(17)8-12/h5-8,11,14,18H,9-10H2,1-4H3
InChIKeyRSKOZTTVUOYLOD-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)ethanone
CID 82241179
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine
CID 64948589
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64932927
(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662297
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
4-(3-fluorobenzoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 5080775
7-fluoro-4-(3-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 5073728
(5R)-7-fluoro-4-(3-fluorobenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2050759
(3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82246689

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone (CID 82248799) is (5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone is CC(C)C1CNC(C)(C)CN1C(=O)c1cccc(F)c1.
What is the InChIKey of (5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone?
The InChIKey is RSKOZTTVUOYLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11(2)14-9-18-16(3,4)10-19(14)15(20)12-6-5-7-13(17)8-12/h5-8,11,14,18H,9-10H2,1-4H3.
What are the key properties of (5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone?
(5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone has a molecular weight of 278.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-2-propan-2-ylpiperazin-1-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 82248799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).