hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride

C21H27ClN2O4 — CID 649806

IUPAChydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
SMILESO=C(COc1ccccc1)N1CCN(CC(O)COc2ccccc2)CC1.[Cl-].[H+]
InChIInChI=1S/C21H26N2O4.ClH/c24-18(16-26-19-7-3-1-4-8-19)15-22-11-13-23(14-12-22)21(25)17-27-20-9-5-2-6-10-20;/h1-10,18,24H,11-17H2;1H
InChIKeyMYCRKKBBICIIHK-UHFFFAOYSA-N
MW406.91 g/mol
LogP-1.23
Rot. Bonds8

About hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride

hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride (PubChem CID 649806) has the molecular formula C21H27ClN2O4 and a molecular weight of 406.91 g/mol. Its IUPAC name is hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride.

Molecular Properties

Compound Namehydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
PubChem CID649806
Molecular FormulaC21H27ClN2O4
Molecular Weight406.91 g/mol
Exact Mass406.17
IUPAC Namehydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
SMILESO=C(COc1ccccc1)N1CCN(CC(O)COc2ccccc2)CC1.[Cl-].[H+]
InChIInChI=1S/C21H26N2O4.ClH/c24-18(16-26-19-7-3-1-4-8-19)15-22-11-13-23(14-12-22)21(25)17-27-20-9-5-2-6-10-20;/h1-10,18,24H,11-17H2;1H
InChIKeyMYCRKKBBICIIHK-UHFFFAOYSA-N
XLogP-1.23
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 120704605
1-[4-(2-hydroxy-3-phenoxypropyl)-1,4-diazepan-1-yl]propan-1-one
CID 110899785
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
(E)-1-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 1119139
cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
CID 95934856
(2S)-2-amino-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]butan-1-one
CID 119881232
1-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]-1,4-diazepan-1-yl]propan-1-one
CID 87021862
[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1119141
(2-bromophenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone;hydrochloride
CID 123132402
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296

Frequently Asked Questions

What is the IUPAC name of hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride?
The IUPAC name of hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride (CID 649806) is hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride.
What is the SMILES notation for hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride?
The canonical SMILES for hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride is O=C(COc1ccccc1)N1CCN(CC(O)COc2ccccc2)CC1.[Cl-].[H+].
What is the InChIKey of hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride?
The InChIKey is MYCRKKBBICIIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4.ClH/c24-18(16-26-19-7-3-1-4-8-19)15-22-11-13-23(14-12-22)21(25)17-27-20-9-5-2-6-10-20;/h1-10,18,24H,11-17H2;1H.
What are the key properties of hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride?
hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride has a molecular weight of 406.91 g/mol, XLogP of -1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride is sourced from PubChem (CID 649806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).