2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol

C19H26F2N2O — CID 111701838

IUPAC2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol
SMILESOC(CN1CCN(C2CC3CCC2C3)CC1)c1c(F)cccc1F
InChIInChI=1S/C19H26F2N2O/c20-15-2-1-3-16(21)19(15)18(24)12-22-6-8-23(9-7-22)17-11-13-4-5-14(17)10-13/h1-3,13-14,17-18,24H,4-12H2
InChIKeyJRJKMEADAZCTMF-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.80
Rot. Bonds4

About 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol

2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol (PubChem CID 111701838) has the molecular formula C19H26F2N2O and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol
PubChem CID111701838
Molecular FormulaC19H26F2N2O
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol
SMILESOC(CN1CCN(C2CC3CCC2C3)CC1)c1c(F)cccc1F
InChIInChI=1S/C19H26F2N2O/c20-15-2-1-3-16(21)19(15)18(24)12-22-6-8-23(9-7-22)17-11-13-4-5-14(17)10-13/h1-3,13-14,17-18,24H,4-12H2
InChIKeyJRJKMEADAZCTMF-UHFFFAOYSA-N
XLogP2.80
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol
CID 111701832
1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine
CID 71979060
1-(2-bicyclo[2.2.1]heptanyl)-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 90483737
1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 111701834
1-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 110897208
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine
CID 139318530
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 6542710
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-fluorophenyl)piperidine
CID 58772016
1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol
CID 126759659
1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(4-chlorophenyl)methyl]piperazine
CID 50935549
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(2,6-difluorophenyl)ethanol
CID 63683000
1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid
CID 17385176

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol (CID 111701838) is 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol is OC(CN1CCN(C2CC3CCC2C3)CC1)c1c(F)cccc1F.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol?
The InChIKey is JRJKMEADAZCTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O/c20-15-2-1-3-16(21)19(15)18(24)12-22-6-8-23(9-7-22)17-11-13-4-5-14(17)10-13/h1-3,13-14,17-18,24H,4-12H2.
What are the key properties of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol?
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol has a molecular weight of 336.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 111701838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).