1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol

C18H30N2O — CID 114539064

IUPAC1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
SMILESCCCc1ccc(C(O)CN2CC(C)N(C)C(C)C2)cc1
InChIInChI=1S/C18H30N2O/c1-5-6-16-7-9-17(10-8-16)18(21)13-20-11-14(2)19(4)15(3)12-20/h7-10,14-15,18,21H,5-6,11-13H2,1-4H3
InChIKeyFSDGHPJLTHPYII-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.70
Rot. Bonds5

About 1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol

1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol (PubChem CID 114539064) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
PubChem CID114539064
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol
SMILESCCCc1ccc(C(O)CN2CC(C)N(C)C(C)C2)cc1
InChIInChI=1S/C18H30N2O/c1-5-6-16-7-9-17(10-8-16)18(21)13-20-11-14(2)19(4)15(3)12-20/h7-10,14-15,18,21H,5-6,11-13H2,1-4H3
InChIKeyFSDGHPJLTHPYII-UHFFFAOYSA-N
XLogP2.70
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylpiperazin-1-yl)-1-(4-propylphenyl)ethanol
CID 63635565
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol
CID 115561354
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(4-propylphenyl)ethanol
CID 83221740
2-(3-methoxypiperidin-1-yl)-1-(4-propylphenyl)ethanol
CID 102966119
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propylphenyl)ethanol
CID 82217030
1-(4-chlorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114539808
1-[2-hydroxy-2-(4-propylphenyl)ethyl]-3-propylimidazol-2-one
CID 80580329
2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol
CID 63634863
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanol
CID 104691439
4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol
CID 114211492
3-(methylamino)-1-(4-propylphenyl)propan-1-ol
CID 112509803
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol?
The IUPAC name of 1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol (CID 114539064) is 1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol.
What is the SMILES notation for 1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol?
The canonical SMILES for 1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol is CCCc1ccc(C(O)CN2CC(C)N(C)C(C)C2)cc1.
What is the InChIKey of 1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol?
The InChIKey is FSDGHPJLTHPYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-6-16-7-9-17(10-8-16)18(21)13-20-11-14(2)19(4)15(3)12-20/h7-10,14-15,18,21H,5-6,11-13H2,1-4H3.
What are the key properties of 1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol?
1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol has a molecular weight of 290.45 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanol is sourced from PubChem (CID 114539064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).