3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol

C17H28N2O2 — CID 63194001

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
SMILESCC(C)(CN1CCN(CCO)CC1)C(O)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-17(2,16(21)15-6-4-3-5-7-15)14-19-10-8-18(9-11-19)12-13-20/h3-7,16,20-21H,8-14H2,1-2H3
InChIKeyPIRQGUQIXXNNJR-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.36
Rot. Bonds6

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol

3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol (PubChem CID 63194001) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
PubChem CID63194001
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
SMILESCC(C)(CN1CCN(CCO)CC1)C(O)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-17(2,16(21)15-6-4-3-5-7-15)14-19-10-8-18(9-11-19)12-13-20/h3-7,16,20-21H,8-14H2,1-2H3
InChIKeyPIRQGUQIXXNNJR-UHFFFAOYSA-N
XLogP1.36
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 107229032
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-2,2-dimethyl-1-phenylpropan-1-ol
CID 107459467
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-2-phenylpropanal
CID 62275976
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 64581191
2-[4-(2-chloro-2-phenylethyl)piperazin-1-yl]ethanol
CID 82214228
3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol
CID 102967520
3-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol
CID 63218416
3-[2-(hydroxymethyl)azepan-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 116638232
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-phenylpropanoic acid
CID 64565025
N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 51629082
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
CID 62613125
2,2-dimethyl-3-[4,7,10-tris(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]propan-1-ol
CID 123455408

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol (CID 63194001) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol is CC(C)(CN1CCN(CCO)CC1)C(O)c1ccccc1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol?
The InChIKey is PIRQGUQIXXNNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2,16(21)15-6-4-3-5-7-15)14-19-10-8-18(9-11-19)12-13-20/h3-7,16,20-21H,8-14H2,1-2H3.
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol is sourced from PubChem (CID 63194001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).