(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

C14H19FN2O — CID 110662297

IUPAC(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc(F)c2)CC(C)N1C
InChIInChI=1S/C14H19FN2O/c1-10-8-17(9-11(2)16(10)3)14(18)12-5-4-6-13(15)7-12/h4-7,10-11H,8-9H2,1-3H3
InChIKeyJUBXFRGKTWNLOZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.99
Rot. Bonds1

About (3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone

(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (PubChem CID 110662297) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
PubChem CID110662297
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc(F)c2)CC(C)N1C
InChIInChI=1S/C14H19FN2O/c1-10-8-17(9-11(2)16(10)3)14(18)12-5-4-6-13(15)7-12/h4-7,10-11H,8-9H2,1-3H3
InChIKeyJUBXFRGKTWNLOZ-UHFFFAOYSA-N
XLogP1.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 110662361
[(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 178076386
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119710242
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(3,4-dimethoxyphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662312
3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone
CID 141178396
1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114537100
2-chloro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108566907
(3S,4S)-1-(3-fluorobenzoyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide
CID 110203535
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone (CID 110662297) is (3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cccc(F)c2)CC(C)N1C.
What is the InChIKey of (3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
The InChIKey is JUBXFRGKTWNLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10-8-17(9-11(2)16(10)3)14(18)12-5-4-6-13(15)7-12/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of (3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone?
(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone has a molecular weight of 250.32 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 110662297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).