[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone

C18H27FN4O — CID 59845995

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
SMILESCC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H27FN4O/c1-14(2)23-8-7-20-17(13-23)18(24)22-11-9-21(10-12-22)16-5-3-15(19)4-6-16/h3-6,14,17,20H,7-13H2,1-2H3/t17-/m1/s1
InChIKeyIDPRMHJAZJTRGZ-QGZVFWFLSA-N
MW334.44 g/mol
LogP1.16
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone (PubChem CID 59845995) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
PubChem CID59845995
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
SMILESCC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H27FN4O/c1-14(2)23-8-7-20-17(13-23)18(24)22-11-9-21(10-12-22)16-5-3-15(19)4-6-16/h3-6,14,17,20H,7-13H2,1-2H3/t17-/m1/s1
InChIKeyIDPRMHJAZJTRGZ-QGZVFWFLSA-N
XLogP1.16
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone with MolForge

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Related Compounds

[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 59846079
[4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane
CID 143491994
[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
CID 141317152
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-2-yl)methanone
CID 72577389
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
[(2R)-4-(1-cyclopropylethyl)piperazin-2-yl]-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 141317150
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72839491
1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide
CID 124997732
[4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110086724
1-(4-propan-2-ylpiperazin-2-yl)ethanone
CID 59646570
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
[4-(4-fluorophenyl)piperazin-1-yl]-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone;dihydrochloride
CID 128980314

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone (CID 59845995) is [4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone is CC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone?
The InChIKey is IDPRMHJAZJTRGZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27FN4O/c1-14(2)23-8-7-20-17(13-23)18(24)22-11-9-21(10-12-22)16-5-3-15(19)4-6-16/h3-6,14,17,20H,7-13H2,1-2H3/t17-/m1/s1.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone has a molecular weight of 334.44 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone is sourced from PubChem (CID 59845995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).