1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol

C17H26F2N2O2 — CID 111542742

IUPAC1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol
SMILESCC(C)OCCN1CCN(CC(O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H26F2N2O2/c1-13(2)23-10-9-20-5-7-21(8-6-20)12-17(22)15-11-14(18)3-4-16(15)19/h3-4,11,13,17,22H,5-10,12H2,1-2H3
InChIKeyMVMLAXYFFDUKPP-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.04
Rot. Bonds7

About 1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol

1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol (PubChem CID 111542742) has the molecular formula C17H26F2N2O2 and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol
PubChem CID111542742
Molecular FormulaC17H26F2N2O2
Molecular Weight328.40 g/mol
Exact Mass328.20
IUPAC Name1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol
SMILESCC(C)OCCN1CCN(CC(O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C17H26F2N2O2/c1-13(2)23-10-9-20-5-7-21(8-6-20)12-17(22)15-11-14(18)3-4-16(15)19/h3-4,11,13,17,22H,5-10,12H2,1-2H3
InChIKeyMVMLAXYFFDUKPP-UHFFFAOYSA-N
XLogP2.04
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol (CID 111542742) is 1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol is CC(C)OCCN1CCN(CC(O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol?
The InChIKey is MVMLAXYFFDUKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N2O2/c1-13(2)23-10-9-20-5-7-21(8-6-20)12-17(22)15-11-14(18)3-4-16(15)19/h3-4,11,13,17,22H,5-10,12H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol?
1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol has a molecular weight of 328.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 111542742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).