1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one

C17H26N2O2 — CID 2936787

IUPAC1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one
SMILESCC(C)C(C(=O)N1CCN(CCO)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-14(2)16(15-6-4-3-5-7-15)17(21)19-10-8-18(9-11-19)12-13-20/h3-7,14,16,20H,8-13H2,1-2H3
InChIKeyCJPVOMFSNIOXKY-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.56
Rot. Bonds5

About 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one

1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one (PubChem CID 2936787) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one
PubChem CID2936787
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one
SMILESCC(C)C(C(=O)N1CCN(CCO)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-14(2)16(15-6-4-3-5-7-15)17(21)19-10-8-18(9-11-19)12-13-20/h3-7,14,16,20H,8-13H2,1-2H3
InChIKeyCJPVOMFSNIOXKY-UHFFFAOYSA-N
XLogP1.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
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Ethyl 4-(3-phenylpropanoyl)piperazine-1-carboxylate
CID 892301
N-[2-[tert-butyl(methyl)amino]ethyl]-N-methyl-2,2-diphenylacetamide
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one?
The IUPAC name of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one (CID 2936787) is 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one?
The canonical SMILES for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one is CC(C)C(C(=O)N1CCN(CCO)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one?
The InChIKey is CJPVOMFSNIOXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)16(15-6-4-3-5-7-15)17(21)19-10-8-18(9-11-19)12-13-20/h3-7,14,16,20H,8-13H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one?
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one is sourced from PubChem (CID 2936787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).