1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one

C15H21FN2O — CID 19879482

IUPAC1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(C)(C)C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O/c1-15(2,18-10-8-17(3)9-11-18)14(19)12-4-6-13(16)7-5-12/h4-7H,8-11H2,1-3H3
InChIKeyIWXHAKVCMNRBCK-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.03
Rot. Bonds3

About 1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one

1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 19879482) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID19879482
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(C)(C)C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O/c1-15(2,18-10-8-17(3)9-11-18)14(19)12-4-6-13(16)7-5-12/h4-7H,8-11H2,1-3H3
InChIKeyIWXHAKVCMNRBCK-UHFFFAOYSA-N
XLogP2.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
CID 61342532
2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 13113175
3-[4-[2-methyl-2-(4-methylpiperazin-1-yl)propanoyl]phenyl]sulfanylpropanoic acid
CID 144999392
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
1-(4-hydroxyphenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 97356006
1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 3461738
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599252
1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)prop-2-yn-1-one
CID 116825867
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574
2-methyl-1-[4-[4-(2-methyl-2-piperidin-1-ylpropanoyl)phenoxy]phenyl]-2-piperidin-1-ylpropan-1-one
CID 20547304
N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide
CID 110469745
2,2-dimethyl-1-phenylpropan-1-one;1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
CID 158594816

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one (CID 19879482) is 1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(C)(C)C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is IWXHAKVCMNRBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-15(2,18-10-8-17(3)9-11-18)14(19)12-4-6-13(16)7-5-12/h4-7H,8-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one?
1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 264.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 19879482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).