[4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane

C20H32F2N4O — CID 143491994

IUPAC[4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane
SMILESCC.CC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1
InChIInChI=1S/C18H26F2N4O.C2H6/c1-13(2)24-6-5-21-17(12-24)18(25)23-9-7-22(8-10-23)14-3-4-15(19)16(20)11-14;1-2/h3-4,11,13,17,21H,5-10,12H2,1-2H3;1-2H3/t17-;/m1./s1
InChIKeyZHKJCPOTFIKRHN-UNTBIKODSA-N
MW382.50 g/mol
LogP2.32
Rot. Bonds3

About [4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane

[4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane (PubChem CID 143491994) has the molecular formula C20H32F2N4O and a molecular weight of 382.50 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane
PubChem CID143491994
Molecular FormulaC20H32F2N4O
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Name[4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane
SMILESCC.CC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1
InChIInChI=1S/C18H26F2N4O.C2H6/c1-13(2)24-6-5-21-17(12-24)18(25)23-9-7-22(8-10-23)14-3-4-15(19)16(20)11-14;1-2/h3-4,11,13,17,21H,5-10,12H2,1-2H3;1-2H3/t17-;/m1./s1
InChIKeyZHKJCPOTFIKRHN-UNTBIKODSA-N
XLogP2.32
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
CID 59845995
[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 59846079
[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
[(2R)-4-(1-cyclopropylethyl)piperazin-2-yl]-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 141317150
1-(4-propan-2-ylpiperazin-2-yl)ethanone
CID 59646570
N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113081399
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2R)-4-prop-2-enylpiperazin-2-yl]methanone
CID 59846080
[4-(3,4-dichlorophenyl)piperazin-1-yl]-piperazin-2-ylmethanone;ethane
CID 143492010
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine
CID 64924018
4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112770

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane?
The IUPAC name of [4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane (CID 143491994) is [4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane.
What is the SMILES notation for [4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane?
The canonical SMILES for [4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane is CC.CC(C)N1CCN[C@@H](C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)C1.
What is the InChIKey of [4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane?
The InChIKey is ZHKJCPOTFIKRHN-UNTBIKODSA-N. The full InChI is InChI=1S/C18H26F2N4O.C2H6/c1-13(2)24-6-5-21-17(12-24)18(25)23-9-7-22(8-10-23)14-3-4-15(19)16(20)11-14;1-2/h3-4,11,13,17,21H,5-10,12H2,1-2H3;1-2H3/t17-;/m1./s1.
What are the key properties of [4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane?
[4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane has a molecular weight of 382.50 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone;ethane is sourced from PubChem (CID 143491994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).