2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone

C19H36F2N4O2 — CID 170569542

IUPAC2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone
SMILESCCC(C)OCC(F)(F)CN1CC(C)N(CC(=O)N2CCNCC2)C(C)C1
InChIInChI=1S/C19H36F2N4O2/c1-5-17(4)27-14-19(20,21)13-23-10-15(2)25(16(3)11-23)12-18(26)24-8-6-22-7-9-24/h15-17,22H,5-14H2,1-4H3
InChIKeyBXVMNCWZXVPLGV-UHFFFAOYSA-N
MW390.52 g/mol
LogP1.26
Rot. Bonds8

About 2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone

2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone (PubChem CID 170569542) has the molecular formula C19H36F2N4O2 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone
PubChem CID170569542
Molecular FormulaC19H36F2N4O2
Molecular Weight390.52 g/mol
Exact Mass390.28
IUPAC Name2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone
SMILESCCC(C)OCC(F)(F)CN1CC(C)N(CC(=O)N2CCNCC2)C(C)C1
InChIInChI=1S/C19H36F2N4O2/c1-5-17(4)27-14-19(20,21)13-23-10-15(2)25(16(3)11-23)12-18(26)24-8-6-22-7-9-24/h15-17,22H,5-14H2,1-4H3
InChIKeyBXVMNCWZXVPLGV-UHFFFAOYSA-N
XLogP1.26
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone with MolForge

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Related Compounds

ethyl 2,2,2-trifluoroacetate;(2S)-2-methylpiperazine;2,2,2-trifluoro-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 161372149
2-[4-(2,2-Difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170371807
N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372041
N-propan-2-yl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372044
N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372181
N-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372182
N-propan-2-yl-2-[(3S)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372184
2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 170374683
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
N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170529661
2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 170529693
N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 170569500

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone (CID 170569542) is 2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone is CCC(C)OCC(F)(F)CN1CC(C)N(CC(=O)N2CCNCC2)C(C)C1.
What is the InChIKey of 2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone?
The InChIKey is BXVMNCWZXVPLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36F2N4O2/c1-5-17(4)27-14-19(20,21)13-23-10-15(2)25(16(3)11-23)12-18(26)24-8-6-22-7-9-24/h15-17,22H,5-14H2,1-4H3.
What are the key properties of 2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone?
2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone has a molecular weight of 390.52 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-butan-2-yloxy-2,2-difluoropropyl)-2,6-dimethylpiperazin-1-yl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 170569542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).