(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol

C23H33N2O3+ — CID 7124558

IUPAC(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol
SMILESCC[C@@H](OC[C@H](O)C[NH+]1CCN(c2ccccc2OC)CC1)c1ccccc1
InChIInChI=1S/C23H32N2O3/c1-3-22(19-9-5-4-6-10-19)28-18-20(26)17-24-13-15-25(16-14-24)21-11-7-8-12-23(21)27-2/h4-12,20,22,26H,3,13-18H2,1-2H3/p+1/t20-,22-/m1/s1
InChIKeyFFRDZDJIWDVYGO-IFMALSPDSA-O
MW385.53 g/mol
LogP1.93
Rot. Bonds9

About (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol

(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol (PubChem CID 7124558) has the molecular formula C23H33N2O3+ and a molecular weight of 385.53 g/mol. Its IUPAC name is (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol
PubChem CID7124558
Molecular FormulaC23H33N2O3+
Molecular Weight385.53 g/mol
Exact Mass385.25
IUPAC Name(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol
SMILESCC[C@@H](OC[C@H](O)C[NH+]1CCN(c2ccccc2OC)CC1)c1ccccc1
InChIInChI=1S/C23H32N2O3/c1-3-22(19-9-5-4-6-10-19)28-18-20(26)17-24-13-15-25(16-14-24)21-11-7-8-12-23(21)27-2/h4-12,20,22,26H,3,13-18H2,1-2H3/p+1/t20-,22-/m1/s1
InChIKeyFFRDZDJIWDVYGO-IFMALSPDSA-O
XLogP1.93
TPSA46.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol with MolForge

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-propan-2-yloxypropan-2-ol
CID 4744347
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(2S)-2-phenylpropoxy]propan-2-ol
CID 7150415
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 7070607
(2R)-1-(3-methoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 2046839
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 7058734
(2R)-1-(2,4-dichlorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 7111244
(2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 7441857
N-[4-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]phenyl]acetamide
CID 7125202
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxypropan-2-ol
CID 7493726
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxypropan-2-ol
CID 7087756
1-(2-methoxyphenoxy)-3-[4-(2-methoxy-2-phenylethyl)piperazine-1,4-diium-1-yl]propan-2-ol dichloride
CID 110177295
(2R)-1-(2-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol
CID 6959952

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol?
The IUPAC name of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol (CID 7124558) is (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol is CC[C@@H](OC[C@H](O)C[NH+]1CCN(c2ccccc2OC)CC1)c1ccccc1.
What is the InChIKey of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol?
The InChIKey is FFRDZDJIWDVYGO-IFMALSPDSA-O. The full InChI is InChI=1S/C23H32N2O3/c1-3-22(19-9-5-4-6-10-19)28-18-20(26)17-24-13-15-25(16-14-24)21-11-7-8-12-23(21)27-2/h4-12,20,22,26H,3,13-18H2,1-2H3/p+1/t20-,22-/m1/s1.
What are the key properties of (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol?
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol has a molecular weight of 385.53 g/mol, XLogP of 1.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol is sourced from PubChem (CID 7124558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).