[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone

C14H19F2N3O — CID 63337395

IUPAC[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
SMILESCC(CN)N1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C14H19F2N3O/c1-10(9-17)18-5-7-19(8-6-18)14(20)13-11(15)3-2-4-12(13)16/h2-4,10H,5-9,17H2,1H3
InChIKeyDUBKSKZRAIZLLX-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.07
Rot. Bonds3

About [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone

[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone (PubChem CID 63337395) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
PubChem CID63337395
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
SMILESCC(CN)N1CCN(C(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C14H19F2N3O/c1-10(9-17)18-5-7-19(8-6-18)14(20)13-11(15)3-2-4-12(13)16/h2-4,10H,5-9,17H2,1H3
InChIKeyDUBKSKZRAIZLLX-UHFFFAOYSA-N
XLogP1.07
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 43251946
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674394
4-amino-1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-methoxybutan-1-one
CID 120590670
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 63337612
1-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119756685
(2-amino-3-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62775760
[4-(1-aminopropan-2-yl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63337833
2-[4-(2-bromo-6-fluorobenzoyl)piperazin-1-yl]propanenitrile
CID 114559212
(2,6-difluorophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7285657
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 92769078
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63337657
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone (CID 63337395) is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone is CC(CN)N1CCN(C(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is DUBKSKZRAIZLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c1-10(9-17)18-5-7-19(8-6-18)14(20)13-11(15)3-2-4-12(13)16/h2-4,10H,5-9,17H2,1H3.
What are the key properties of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 283.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 63337395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).