2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol

C14H19ClF2N2O2 — CID 60669791

IUPAC2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2cc(Cl)ccc2OC(F)F)CC1
InChIInChI=1S/C14H19ClF2N2O2/c15-12-1-2-13(21-14(16)17)11(9-12)10-19-5-3-18(4-6-19)7-8-20/h1-2,9,14,20H,3-8,10H2
InChIKeyGNCGQKSWOFGCDL-UHFFFAOYSA-N
MW320.77 g/mol
LogP2.05
Rot. Bonds6

About 2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol

2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol (PubChem CID 60669791) has the molecular formula C14H19ClF2N2O2 and a molecular weight of 320.77 g/mol. Its IUPAC name is 2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol
PubChem CID60669791
Molecular FormulaC14H19ClF2N2O2
Molecular Weight320.77 g/mol
Exact Mass320.11
IUPAC Name2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2cc(Cl)ccc2OC(F)F)CC1
InChIInChI=1S/C14H19ClF2N2O2/c15-12-1-2-13(21-14(16)17)11(9-12)10-19-5-3-18(4-6-19)7-8-20/h1-2,9,14,20H,3-8,10H2
InChIKeyGNCGQKSWOFGCDL-UHFFFAOYSA-N
XLogP2.05
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 43162436
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
CID 60670160
2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol
CID 79582464
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119917695
(9aS)-2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124839827
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119920229
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771938
1-(2-chloroethyl)-4-[(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepane
CID 63387973
[2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-azabicyclo[2.1.1]hexan-1-yl]methanol
CID 154735577
1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119914801
2-[4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy]ethanol;methanamine
CID 171625093

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol (CID 60669791) is 2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2cc(Cl)ccc2OC(F)F)CC1.
What is the InChIKey of 2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is GNCGQKSWOFGCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2O2/c15-12-1-2-13(21-14(16)17)11(9-12)10-19-5-3-18(4-6-19)7-8-20/h1-2,9,14,20H,3-8,10H2.
What are the key properties of 2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 320.77 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 60669791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).