1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride

C23H37Cl2FN2O2 — CID 2770521

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride
SMILESCC12CCC(C1)C(C)(C)C2OCC(O)CN1CCN(c2ccccc2F)CC1.Cl.Cl
InChIInChI=1S/C23H35FN2O2.2ClH/c1-22(2)17-8-9-23(3,14-17)21(22)28-16-18(27)15-25-10-12-26(13-11-25)20-7-5-4-6-19(20)24;;/h4-7,17-18,21,27H,8-16H2,1-3H3;2*1H
InChIKeyTUUDCBQAZRWHMT-UHFFFAOYSA-N
MW463.47 g/mol
LogP4.38
Rot. Bonds6

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride (PubChem CID 2770521) has the molecular formula C23H37Cl2FN2O2 and a molecular weight of 463.47 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride
PubChem CID2770521
Molecular FormulaC23H37Cl2FN2O2
Molecular Weight463.47 g/mol
Exact Mass462.22
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride
SMILESCC12CCC(C1)C(C)(C)C2OCC(O)CN1CCN(c2ccccc2F)CC1.Cl.Cl
InChIInChI=1S/C23H35FN2O2.2ClH/c1-22(2)17-8-9-23(3,14-17)21(22)28-16-18(27)15-25-10-12-26(13-11-25)20-7-5-4-6-19(20)24;;/h4-7,17-18,21,27H,8-16H2,1-3H3;2*1H
InChIKeyTUUDCBQAZRWHMT-UHFFFAOYSA-N
XLogP4.38
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride with MolForge

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Related Compounds

1-[(4-Tert-butylcyclohexyl)oxy]-3-(4-phenyl-1-piperazinyl)-2-propanol dihydrochloride
CID 9550615
1-[4-(4-Fluorophenyl)-1-piperazinyl]-3-[(3,3,5-trimethylcyclohexyl)oxy]-2-propanol
CID 2891703
1-(4-(3-(Trifluoromethyl)phenyl)piperazin-1-yl)-3-((1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)propan-2-ol hydrochloride
CID 16807258
1-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)-3-(((1S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)propan-2-ol hydrochloride
CID 18593490
1-(2-Bornanyloxy)-3-[4-(p-fluorophenyl)-1-piperazinyl]-2-propanol
CID 18593485
3-(Bicyclo[2.2.1]hept-2-ylmethoxy)-1-(4-phenylpiperazinyl)propan-2-ol
CID 43842299
1-[2-(Adamantan-1-yl)ethoxy]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride
CID 2770537
1-(4-phenylpiperazin-1-yl)-3-(((1S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)propan-2-ol dihydrochloride
CID 16832251
1-(4-(3-chlorophenyl)piperazin-1-yl)-3-(((1S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)propan-2-ol hydrochloride
CID 16832259
1-[2-(1-Adamantyl)ethoxy]-3-[4-(4-fluorophenyl)-1-piperazinyl]-2-propanol
CID 606394
1-(5-Methyl-2-propan-2-ylcyclohexyl)oxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 3296218
1-(Adamantan-1-yloxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol dihydrochloride
CID 16804887

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride (CID 2770521) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride is CC12CCC(C1)C(C)(C)C2OCC(O)CN1CCN(c2ccccc2F)CC1.Cl.Cl.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride?
The InChIKey is TUUDCBQAZRWHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN2O2.2ClH/c1-22(2)17-8-9-23(3,14-17)21(22)28-16-18(27)15-25-10-12-26(13-11-25)20-7-5-4-6-19(20)24;;/h4-7,17-18,21,27H,8-16H2,1-3H3;2*1H.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride?
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride has a molecular weight of 463.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;dihydrochloride is sourced from PubChem (CID 2770521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).