1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone

C18H26N2O3 — CID 71783108

IUPAC1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(CC(O)C3CC3)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-23-16-6-2-14(3-7-16)12-18(22)20-10-8-19(9-11-20)13-17(21)15-4-5-15/h2-3,6-7,15,17,21H,4-5,8-13H2,1H3
InChIKeyVLLJKZOAFUKXQB-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.15
Rot. Bonds6

About 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 71783108) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID71783108
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(CC(O)C3CC3)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-23-16-6-2-14(3-7-16)12-18(22)20-10-8-19(9-11-20)13-17(21)15-4-5-15/h2-3,6-7,15,17,21H,4-5,8-13H2,1H3
InChIKeyVLLJKZOAFUKXQB-UHFFFAOYSA-N
XLogP1.15
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 71783123
2-cyclopropyl-1-[4-[2-(4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110611377
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
2-(4-methoxyphenyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 113075008
1-[4-(2-bromoethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 80660719
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110364752
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 57442725
2-(4-ethoxyphenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95348538

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 71783108) is 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCN(CC(O)C3CC3)CC2)cc1.
What is the InChIKey of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is VLLJKZOAFUKXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-16-6-2-14(3-7-16)12-18(22)20-10-8-19(9-11-20)13-17(21)15-4-5-15/h2-3,6-7,15,17,21H,4-5,8-13H2,1H3.
What are the key properties of 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 318.42 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 71783108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).