1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol

C19H32N2O2 — CID 82263840

IUPAC1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol
SMILESCC(C)Oc1ccc(C(O)CN2CCNCC2)cc1C(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-14(2)23-18-7-6-15(12-16(18)19(3,4)5)17(22)13-21-10-8-20-9-11-21/h6-7,12,14,17,20,22H,8-11,13H2,1-5H3
InChIKeyROHGXRRHDGUDFP-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.71
Rot. Bonds5

About 1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol

1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol (PubChem CID 82263840) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol
PubChem CID82263840
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol
SMILESCC(C)Oc1ccc(C(O)CN2CCNCC2)cc1C(C)(C)C
InChIInChI=1S/C19H32N2O2/c1-14(2)23-18-7-6-15(12-16(18)19(3,4)5)17(22)13-21-10-8-20-9-11-21/h6-7,12,14,17,20,22H,8-11,13H2,1-5H3
InChIKeyROHGXRRHDGUDFP-UHFFFAOYSA-N
XLogP2.71
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-tert-butyl-4-propan-2-yloxyphenyl)methyl]piperazine
CID 82263845
1-(3-tert-butyl-4-ethoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-ol
CID 82263878
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
1-(4-iodophenyl)-2-piperazin-1-ylethanol
CID 3894753
2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 4311567
1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol
CID 82283971
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
CID 3261136
1-(3-bromo-4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 4303694
1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 82263741
1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol
CID 82500614
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 3876367

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of 1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol (CID 82263840) is 1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for 1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol is CC(C)Oc1ccc(C(O)CN2CCNCC2)cc1C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol?
The InChIKey is ROHGXRRHDGUDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-14(2)23-18-7-6-15(12-16(18)19(3,4)5)17(22)13-21-10-8-20-9-11-21/h6-7,12,14,17,20,22H,8-11,13H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol?
1-(3-tert-butyl-4-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol has a molecular weight of 320.48 g/mol, XLogP of 2.71, 5 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-propan-2-yloxyphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 82263840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).