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

C18H34F2N4O2 — CID 170569501

IUPAC2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CN2C(C)CN(CC(F)(F)COC)CC2C)CC1
InChIInChI=1S/C18H34F2N4O2/c1-5-21-6-8-23(9-7-21)17(25)12-24-15(2)10-22(11-16(24)3)13-18(19,20)14-26-4/h15-16H,5-14H2,1-4H3
InChIKeySRPZWSOKLSOPHY-UHFFFAOYSA-N
MW376.49 g/mol
LogP0.83
Rot. Bonds7

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

2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 170569501) has the molecular formula C18H34F2N4O2 and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID170569501
Molecular FormulaC18H34F2N4O2
Molecular Weight376.49 g/mol
Exact Mass376.26
IUPAC Name2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CN2C(C)CN(CC(F)(F)COC)CC2C)CC1
InChIInChI=1S/C18H34F2N4O2/c1-5-21-6-8-23(9-7-21)17(25)12-24-15(2)10-22(11-16(24)3)13-18(19,20)14-26-4/h15-16H,5-14H2,1-4H3
InChIKeySRPZWSOKLSOPHY-UHFFFAOYSA-N
XLogP0.83
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone (CID 170569501) is 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)CN2C(C)CN(CC(F)(F)COC)CC2C)CC1.
What is the InChIKey of 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is SRPZWSOKLSOPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F2N4O2/c1-5-21-6-8-23(9-7-21)17(25)12-24-15(2)10-22(11-16(24)3)13-18(19,20)14-26-4/h15-16H,5-14H2,1-4H3.
What are the key properties of 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone?
2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 376.49 g/mol, XLogP of 0.83, 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-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170569501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).