2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C19H36F2N4O2 — CID 175626909

IUPAC2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCOCC(F)(F)CN1CC(C)N(CC(=O)N2CCN(C(C)C)CC2)C(C)C1
InChIInChI=1S/C19H36F2N4O2/c1-15(2)23-6-8-24(9-7-23)18(26)12-25-16(3)10-22(11-17(25)4)13-19(20,21)14-27-5/h15-17H,6-14H2,1-5H3
InChIKeyZVYDEXFKZLRGHX-UHFFFAOYSA-N
MW390.52 g/mol
LogP1.22
Rot. Bonds7

About 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 175626909) has the molecular formula C19H36F2N4O2 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID175626909
Molecular FormulaC19H36F2N4O2
Molecular Weight390.52 g/mol
Exact Mass390.28
IUPAC Name2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCOCC(F)(F)CN1CC(C)N(CC(=O)N2CCN(C(C)C)CC2)C(C)C1
InChIInChI=1S/C19H36F2N4O2/c1-15(2)23-6-8-24(9-7-23)18(26)12-25-16(3)10-22(11-17(25)4)13-19(20,21)14-27-5/h15-17H,6-14H2,1-5H3
InChIKeyZVYDEXFKZLRGHX-UHFFFAOYSA-N
XLogP1.22
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,2-Difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170371807
2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170529535
2-[4-(2,2-Difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 170569501
2-[4-(3-Butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone;ethane
CID 170569541
CID 175626905
CID 175626905
2-[(2R,6S)-4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 175626914
2-[4-(2,2-Difluoro-3-pentan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 175629692
2-[4-(2,2-Difluoro-3-methylsulfinothioyloxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 175629695
2-[4-(2,2-Difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 175635797
N,N-di(propan-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide
CID 48441138
1-[4-[1-(4-Ethylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 86868091
3,3,3-Trifluoro-1-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propan-1-one
CID 133575292

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 175626909) is 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is COCC(F)(F)CN1CC(C)N(CC(=O)N2CCN(C(C)C)CC2)C(C)C1.
What is the InChIKey of 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is ZVYDEXFKZLRGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36F2N4O2/c1-15(2)23-6-8-24(9-7-23)18(26)12-25-16(3)10-22(11-17(25)4)13-19(20,21)14-27-5/h15-17H,6-14H2,1-5H3.
What are the key properties of 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 390.52 g/mol, XLogP of 1.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 175626909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).