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

C15H20F2N2O3 — CID 111439654

IUPAC(2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(CCOCCO)CC1
InChIInChI=1S/C15H20F2N2O3/c16-12-2-1-3-13(17)14(12)15(21)19-6-4-18(5-7-19)8-10-22-11-9-20/h1-3,20H,4-11H2
InChIKeyOTZHONRPYNSKBN-UHFFFAOYSA-N
MW314.33 g/mol
LogP0.73
Rot. Bonds6

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

(2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone (PubChem CID 111439654) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone
PubChem CID111439654
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name(2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(CCOCCO)CC1
InChIInChI=1S/C15H20F2N2O3/c16-12-2-1-3-13(17)14(12)15(21)19-6-4-18(5-7-19)8-10-22-11-9-20/h1-3,20H,4-11H2
InChIKeyOTZHONRPYNSKBN-UHFFFAOYSA-N
XLogP0.73
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-6-fluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]-1,4-diazepan-1-yl]methanone
CID 137345496
(3-fluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]-1,4-diazepan-1-yl]methanone
CID 111439517
N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide
CID 119066622
(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 114560153
3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981277
(2-bromo-6-fluorophenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone
CID 114560996
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 104916616
[4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone
CID 118791120
2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone
CID 111439548
3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-1-(2-nitrophenyl)propan-1-one
CID 67702916
(3-amino-2,6-difluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 79773430
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 114561026

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone (CID 111439654) is (2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone is O=C(c1c(F)cccc1F)N1CCN(CCOCCO)CC1.
What is the InChIKey of (2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone?
The InChIKey is OTZHONRPYNSKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c16-12-2-1-3-13(17)14(12)15(21)19-6-4-18(5-7-19)8-10-22-11-9-20/h1-3,20H,4-11H2.
What are the key properties of (2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone?
(2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone has a molecular weight of 314.33 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 111439654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).