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

C17H26N2O2 — CID 62024063

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-2-3-15-4-6-16(7-5-15)17(21)14-19-10-8-18(9-11-19)12-13-20/h4-7,20H,2-3,8-14H2,1H3
InChIKeyHBXBVVRZMJVLHG-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.43
Rot. Bonds7

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

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone (PubChem CID 62024063) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone
PubChem CID62024063
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-2-3-15-4-6-16(7-5-15)17(21)14-19-10-8-18(9-11-19)12-13-20/h4-7,20H,2-3,8-14H2,1H3
InChIKeyHBXBVVRZMJVLHG-UHFFFAOYSA-N
XLogP1.43
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223659
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 3328297
2-morpholin-4-yl-1-(4-propylphenyl)ethanone
CID 43219458
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxyphenyl)ethanone
CID 60680749
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
2-(4-methylpiperazin-1-yl)-1-(4-octylphenyl)ethanone
CID 170861609
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone
CID 63633398
1-(4-propylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62030887
2-(4-methylpiperazin-1-yl)-1-[4-[5-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]pentyl]phenyl]ethanone
CID 170861790
2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone
CID 170861866
3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one
CID 94273024

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone (CID 62024063) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)CN2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone?
The InChIKey is HBXBVVRZMJVLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-15-4-6-16(7-5-15)17(21)14-19-10-8-18(9-11-19)12-13-20/h4-7,20H,2-3,8-14H2,1H3.
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 62024063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).