1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride

C24H38Cl2N2O2 — CID 16832261

IUPAC1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride
SMILESCc1ccc(Cl)cc1N1CCN(CC(O)COC2CC3CCC2(C)C3(C)C)CC1.Cl
InChIInChI=1S/C24H37ClN2O2.ClH/c1-17-5-6-19(25)14-21(17)27-11-9-26(10-12-27)15-20(28)16-29-22-13-18-7-8-24(22,4)23(18,2)3;/h5-6,14,18,20,22,28H,7-13,15-16H2,1-4H3;1H
InChIKeyVMJNHLZKTFPYSU-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.78
Rot. Bonds6

About 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride

1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride (PubChem CID 16832261) has the molecular formula C24H38Cl2N2O2 and a molecular weight of 457.49 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride
PubChem CID16832261
Molecular FormulaC24H38Cl2N2O2
Molecular Weight457.49 g/mol
Exact Mass456.23
IUPAC Name1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride
SMILESCc1ccc(Cl)cc1N1CCN(CC(O)COC2CC3CCC2(C)C3(C)C)CC1.Cl
InChIInChI=1S/C24H37ClN2O2.ClH/c1-17-5-6-19(25)14-21(17)27-11-9-26(10-12-27)15-20(28)16-29-22-13-18-7-8-24(22,4)23(18,2)3;/h5-6,14,18,20,22,28H,7-13,15-16H2,1-4H3;1H
InChIKeyVMJNHLZKTFPYSU-UHFFFAOYSA-N
XLogP4.78
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride with MolForge

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Related Compounds

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
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-(4-(4-chlorobenzyl)piperazin-1-yl)-3-(((1S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)propan-2-ol dihydrochloride
CID 18593488
1-(4-(2-fluorophenyl)piperazin-1-yl)-3-(((2R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)propan-2-ol dihydrochloride
CID 2770521
1-(4-(3-Chlorophenyl)piperazin-1-yl)-3-((1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl)oxy)propan-2-ol hydrochloride
CID 16806990
1-[(Adamantan-1-yl)methoxy]-3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propan-2-ol hydrochloride
CID 16832242
1-[4-(2-Fluorophenyl)piperazin-1-YL]-3-({1,7,7-trimethylbicyclo[2.2.1]heptan-2-YL}oxy)propan-2-OL dihydrochloride
CID 16832257
1-[4-(5-Chloro-2-tolyl)-1-piperazinyl]-3-[(2-norbornanyl)methoxy]-2-propanol
CID 43842308
1-((4-(Tert-butyl)cyclohexyl)oxy)-3-(4-(3-chlorophenyl)piperazin-1-yl)propan-2-ol hydrochloride
CID 71778666

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride (CID 16832261) is 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride is Cc1ccc(Cl)cc1N1CCN(CC(O)COC2CC3CCC2(C)C3(C)C)CC1.Cl.
What is the InChIKey of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?
The InChIKey is VMJNHLZKTFPYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37ClN2O2.ClH/c1-17-5-6-19(25)14-21(17)27-11-9-26(10-12-27)15-20(28)16-29-22-13-18-7-8-24(22,4)23(18,2)3;/h5-6,14,18,20,22,28H,7-13,15-16H2,1-4H3;1H.
What are the key properties of 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride?
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride has a molecular weight of 457.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 16832261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).