2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone

C16H24N3O3+ — CID 8690719

IUPAC2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)N1CCOCC1
InChIInChI=1S/C16H23N3O3/c20-15-3-1-14(2-4-15)18-7-5-17(6-8-18)13-16(21)19-9-11-22-12-10-19/h1-4,20H,5-13H2/p+1
InChIKeyXKSFYFFUMRFTCX-UHFFFAOYSA-O
MW306.39 g/mol
LogP-1.04
Rot. Bonds3

About 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone

2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone (PubChem CID 8690719) has the molecular formula C16H24N3O3+ and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone
PubChem CID8690719
Molecular FormulaC16H24N3O3+
Molecular Weight306.39 g/mol
Exact Mass306.18
IUPAC Name2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)N1CCOCC1
InChIInChI=1S/C16H23N3O3/c20-15-3-1-14(2-4-15)18-7-5-17(6-8-18)13-16(21)19-9-11-22-12-10-19/h1-4,20H,5-13H2/p+1
InChIKeyXKSFYFFUMRFTCX-UHFFFAOYSA-O
XLogP-1.04
TPSA57.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]-4-phenylbutane-1,4-dione
CID 9118271
2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 54911266
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazine-1,4-diium-1-yl]-1-morpholin-4-ylethanone
CID 8892920
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperazin-1-ium-1-yl]-1-morpholin-4-ylethanone
CID 9114278
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8691263
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2478164
N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8690899
4-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-4-ium-1-yl]phenol
CID 8690269
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9027655
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8690331
3-bromo-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 113385212

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone (CID 8690719) is 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone is O=C(C[NH+]1CCN(c2ccc(O)cc2)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is XKSFYFFUMRFTCX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23N3O3/c20-15-3-1-14(2-4-15)18-7-5-17(6-8-18)13-16(21)19-9-11-22-12-10-19/h1-4,20H,5-13H2/p+1.
What are the key properties of 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone?
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 306.39 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 8690719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).