3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one

C26H36FN3O — CID 13196292

IUPAC3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
SMILESCCN(CC)C(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H36FN3O/c1-4-30(5-2)25(22-11-13-24(27)14-12-22)20-29-17-15-28(16-18-29)19-21(3)26(31)23-9-7-6-8-10-23/h6-14,21,25H,4-5,15-20H2,1-3H3
InChIKeyDPEFTVXRRIYCFW-UHFFFAOYSA-N
MW425.59 g/mol
LogP4.35
Rot. Bonds10

About 3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one

3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one (PubChem CID 13196292) has the molecular formula C26H36FN3O and a molecular weight of 425.59 g/mol. Its IUPAC name is 3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
PubChem CID13196292
Molecular FormulaC26H36FN3O
Molecular Weight425.59 g/mol
Exact Mass425.28
IUPAC Name3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
SMILESCCN(CC)C(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H36FN3O/c1-4-30(5-2)25(22-11-13-24(27)14-12-22)20-29-17-15-28(16-18-29)19-21(3)26(31)23-9-7-6-8-10-23/h6-14,21,25H,4-5,15-20H2,1-3H3
InChIKeyDPEFTVXRRIYCFW-UHFFFAOYSA-N
XLogP4.35
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.59
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one with MolForge

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Related Compounds

(2S)-2-methyl-3-[4-[(2R)-2-methyl-3-oxo-3-phenylpropyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 92774232
(2S)-3-[4-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 97301223
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 62613125
3-(4-tert-butylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-one
CID 62613502
2-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 3599580
2-methyl-1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62612164
3-(4-benzylpiperazin-1-yl)-2-methyl-1-(4-methylphenyl)propan-1-one
CID 12952312
(2S)-3-[4-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]piperazin-1-yl]-1-(4-hydroxyphenyl)-2-methylpropan-1-one
CID 97301227
2-methyl-1-(4-phenoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266153
(Z)-but-2-enedioic acid;ethyl 1-[2-(diethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
CID 20838141
(2R,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11414229

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one (CID 13196292) is 3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one is CCN(CC)C(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one?
The InChIKey is DPEFTVXRRIYCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O/c1-4-30(5-2)25(22-11-13-24(27)14-12-22)20-29-17-15-28(16-18-29)19-21(3)26(31)23-9-7-6-8-10-23/h6-14,21,25H,4-5,15-20H2,1-3H3.
What are the key properties of 3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one?
3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one has a molecular weight of 425.59 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(diethylamino)-2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 13196292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).