1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol

C20H34N2O2 — CID 82263878

IUPAC1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
SMILESCCOc1ccc(C(O)C(C)CN2CCNCC2)cc1C(C)(C)C
InChIInChI=1S/C20H34N2O2/c1-6-24-18-8-7-16(13-17(18)20(3,4)5)19(23)15(2)14-22-11-9-21-10-12-22/h7-8,13,15,19,21,23H,6,9-12,14H2,1-5H3
InChIKeyFIBRSJIUWDDWRL-UHFFFAOYSA-N
MW334.50 g/mol
LogP2.96
Rot. Bonds6

About 1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol

1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol (PubChem CID 82263878) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
PubChem CID82263878
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
SMILESCCOc1ccc(C(O)C(C)CN2CCNCC2)cc1C(C)(C)C
InChIInChI=1S/C20H34N2O2/c1-6-24-18-8-7-16(13-17(18)20(3,4)5)19(23)15(2)14-22-11-9-21-10-12-22/h7-8,13,15,19,21,23H,6,9-12,14H2,1-5H3
InChIKeyFIBRSJIUWDDWRL-UHFFFAOYSA-N
XLogP2.96
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol
CID 82263840
1-[2-(3-tert-butyl-4-ethoxyphenyl)ethyl]piperazine
CID 82263880
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
CID 5123257
2-methyl-1-(4-methylsulfanylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82264442
2-methyl-3-piperazin-1-yl-1-(1-propyl-3,4-dihydro-2H-quinolin-7-yl)propan-1-ol
CID 82263571
1-amino-4-(3-tert-butyl-4-ethoxyphenyl)pentan-2-ol
CID 83934400
1-(5-bromo-2-fluorophenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
CID 82263447
3-(3-tert-butyl-4-ethoxyphenyl)butanethioamide
CID 83934342
1-[1-(3,4-diethoxyphenyl)-2-pyrrolidin-1-ylethyl]piperazine
CID 112540179
2-tert-butyl-1-ethoxy-4-hex-4-yn-2-ylbenzene
CID 83934352
1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine
CID 82263845
1-(3-amino-4-ethoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135912

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol (CID 82263878) is 1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol is CCOc1ccc(C(O)C(C)CN2CCNCC2)cc1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol?
The InChIKey is FIBRSJIUWDDWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-6-24-18-8-7-16(13-17(18)20(3,4)5)19(23)15(2)14-22-11-9-21-10-12-22/h7-8,13,15,19,21,23H,6,9-12,14H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol?
1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol has a molecular weight of 334.50 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82263878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).