2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol

C15H22F2N2O2 — CID 47520543

IUPAC2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol
SMILESCC(c1ccc(OC(F)F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C15H22F2N2O2/c1-12(19-8-6-18(7-9-19)10-11-20)13-2-4-14(5-3-13)21-15(16)17/h2-5,12,15,20H,6-11H2,1H3
InChIKeyIGVFWNHXVYNCSA-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.96
Rot. Bonds6

About 2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol

2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol (PubChem CID 47520543) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol
PubChem CID47520543
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol
SMILESCC(c1ccc(OC(F)F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C15H22F2N2O2/c1-12(19-8-6-18(7-9-19)10-11-20)13-2-4-14(5-3-13)21-15(16)17/h2-5,12,15,20H,6-11H2,1H3
InChIKeyIGVFWNHXVYNCSA-UHFFFAOYSA-N
XLogP1.96
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-(2-ethoxyethyl)piperazine
CID 86894996
[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol
CID 47524579
2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
CID 110900456
1-[4-(difluoromethoxy)phenyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]ethanol
CID 110901960
2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol
CID 167935408
1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-3-ol
CID 47704692
2-[4-[1-(4-isoquinolin-6-ylphenyl)ethyl]piperazin-1-yl]ethanol
CID 166245719
2-[4-[1-[4-[4-[(1-methylpyrrolidin-3-yl)oxymethyl]phenyl]phenyl]ethyl]piperazin-1-yl]ethanol
CID 126675756
6-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 86894830
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119919002
2-[4-[1-(2-bromophenyl)ethyl]piperazin-1-yl]ethanol
CID 47520556
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol (CID 47520543) is 2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol is CC(c1ccc(OC(F)F)cc1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol?
The InChIKey is IGVFWNHXVYNCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-12(19-8-6-18(7-9-19)10-11-20)13-2-4-14(5-3-13)21-15(16)17/h2-5,12,15,20H,6-11H2,1H3.
What are the key properties of 2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol?
2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol has a molecular weight of 300.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 47520543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).