1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol

C26H38N2O2 — CID 167979498

IUPAC1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol
SMILESCC(C)C(O)(CN1CCN(CC(O)(c2ccccc2)C(C)C)CC1)c1ccccc1
InChIInChI=1S/C26H38N2O2/c1-21(2)25(29,23-11-7-5-8-12-23)19-27-15-17-28(18-16-27)20-26(30,22(3)4)24-13-9-6-10-14-24/h5-14,21-22,29-30H,15-20H2,1-4H3
InChIKeyZTRFLDLYXSBJSY-UHFFFAOYSA-N
MW410.60 g/mol
LogP3.69
Rot. Bonds8

About 1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol

1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol (PubChem CID 167979498) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol
PubChem CID167979498
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Name1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol
SMILESCC(C)C(O)(CN1CCN(CC(O)(c2ccccc2)C(C)C)CC1)c1ccccc1
InChIInChI=1S/C26H38N2O2/c1-21(2)25(29,23-11-7-5-8-12-23)19-27-15-17-28(18-16-27)20-26(30,22(3)4)24-13-9-6-10-14-24/h5-14,21-22,29-30H,15-20H2,1-4H3
InChIKeyZTRFLDLYXSBJSY-UHFFFAOYSA-N
XLogP3.69
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-fluoro-4-methyl-3-phenylpentan-3-ol
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2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol
CID 10125387
3-methyl-1-(4-methylpiperazin-1-yl)-2-phenylbutan-2-amine
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1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-phenylpropan-2-ol
CID 62373658
3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol
CID 57245226
2-methyl-2-phenyl-N-propan-2-yl-3-pyrrolidin-1-ylpropan-1-amine
CID 62262976
3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride
CID 11972143
1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 62931095
3-(4-ethylpiperazin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 55051607
2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 112698258

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol?
The IUPAC name of 1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol (CID 167979498) is 1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol.
What is the SMILES notation for 1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol?
The canonical SMILES for 1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol is CC(C)C(O)(CN1CCN(CC(O)(c2ccccc2)C(C)C)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol?
The InChIKey is ZTRFLDLYXSBJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-21(2)25(29,23-11-7-5-8-12-23)19-27-15-17-28(18-16-27)20-26(30,22(3)4)24-13-9-6-10-14-24/h5-14,21-22,29-30H,15-20H2,1-4H3.
What are the key properties of 1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol?
1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol has a molecular weight of 410.60 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol is sourced from PubChem (CID 167979498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).