1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone

C17H26N2O4 — CID 95345574

IUPAC1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCC[C@@H](O)CN1CCN(C(=O)COc2ccccc2OC)CC1
InChIInChI=1S/C17H26N2O4/c1-3-14(20)12-18-8-10-19(11-9-18)17(21)13-23-16-7-5-4-6-15(16)22-2/h4-7,14,20H,3,8-13H2,1-2H3/t14-/m1/s1
InChIKeyLTYWNHWAWQEWJQ-CQSZACIVSA-N
MW322.40 g/mol
LogP0.99
Rot. Bonds7

About 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone

1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone (PubChem CID 95345574) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
PubChem CID95345574
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCC[C@@H](O)CN1CCN(C(=O)COc2ccccc2OC)CC1
InChIInChI=1S/C17H26N2O4/c1-3-14(20)12-18-8-10-19(11-9-18)17(21)13-23-16-7-5-4-6-15(16)22-2/h4-7,14,20H,3,8-13H2,1-2H3/t14-/m1/s1
InChIKeyLTYWNHWAWQEWJQ-CQSZACIVSA-N
XLogP0.99
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
2-(2-methoxyphenoxy)-1-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]ethanone
CID 95973493
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
2-(2-methoxyphenoxy)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073699
4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethoxy]benzamide
CID 56803124
1-[4-(2-hydroxybutyl)piperazin-1-yl]-2-methoxyethanone
CID 111105931
2,2,2-trifluoro-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533450
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
4-[2-(2-methoxyphenoxy)acetyl]piperazine-1-carbothioamide
CID 2050365
2-(2-ethylphenoxy)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95606814
2-(2-methoxyphenoxy)-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 113074011
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone (CID 95345574) is 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone is CC[C@@H](O)CN1CCN(C(=O)COc2ccccc2OC)CC1.
What is the InChIKey of 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The InChIKey is LTYWNHWAWQEWJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-3-14(20)12-18-8-10-19(11-9-18)17(21)13-23-16-7-5-4-6-15(16)22-2/h4-7,14,20H,3,8-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone has a molecular weight of 322.40 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 95345574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).