2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid

C15H22N2O4 — CID 119135376

IUPAC2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC(O)COc2ccccc2)CC1
InChIInChI=1S/C15H22N2O4/c18-13(12-21-14-4-2-1-3-5-14)10-16-6-8-17(9-7-16)11-15(19)20/h1-5,13,18H,6-12H2,(H,19,20)
InChIKeyRPGNVPTZRAXPHZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.13
Rot. Bonds7

About 2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid

2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid (PubChem CID 119135376) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
PubChem CID119135376
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(CC(O)COc2ccccc2)CC1
InChIInChI=1S/C15H22N2O4/c18-13(12-21-14-4-2-1-3-5-14)10-16-6-8-17(9-7-16)11-15(19)20/h1-5,13,18H,6-12H2,(H,19,20)
InChIKeyRPGNVPTZRAXPHZ-UHFFFAOYSA-N
XLogP0.13
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
CID 649806
1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 120704605
1-[4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazin-1-yl]propan-2-ol
CID 4234342
N-(2-cyanoethyl)-2-[4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide
CID 95324373
1-[4-(2-hydroxy-3-phenoxypropyl)-1,4-diazepan-1-yl]propan-1-one
CID 110899785
cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
CID 95934856
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
3-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-N-phenylpropanamide
CID 56976603
(E)-1-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 1119139
(2S)-2-amino-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]butan-1-one
CID 119881232

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid (CID 119135376) is 2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(CC(O)COc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid?
The InChIKey is RPGNVPTZRAXPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-13(12-21-14-4-2-1-3-5-14)10-16-6-8-17(9-7-16)11-15(19)20/h1-5,13,18H,6-12H2,(H,19,20).
What are the key properties of 2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid?
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 119135376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).