2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol

C23H32N2O3 — CID 51723076

IUPAC2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c1
InChIInChI=1S/C23H32N2O3/c1-28-22-9-10-23(27)20(16-22)17-24-13-14-25(21(18-24)11-15-26)12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,21,26-27H,5,8,11-15,17-18H2,1H3/t21-/m1/s1
InChIKeyHQVPQNFWKWUNCD-OAQYLSRUSA-N
MW384.52 g/mol
LogP2.90
Rot. Bonds9

About 2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol

2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol (PubChem CID 51723076) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol
PubChem CID51723076
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c1
InChIInChI=1S/C23H32N2O3/c1-28-22-9-10-23(27)20(16-22)17-24-13-14-25(21(18-24)11-15-26)12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,21,26-27H,5,8,11-15,17-18H2,1H3/t21-/m1/s1
InChIKeyHQVPQNFWKWUNCD-OAQYLSRUSA-N
XLogP2.90
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 23723691
2-[[4-benzyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-methoxyphenol
CID 45180634
4-chloro-2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol
CID 45219951
4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 45246871
2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29212312
2-[1-(3-phenylpropyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45211000
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23724002
2-[4-[(2,4-difluorophenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 56707189
2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45172721
2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45243889
2-[4-[(5-methylfuran-2-yl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45193506
2-[[(3R)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-5-methoxyphenol
CID 98573625

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol (CID 51723076) is 2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol is COc1ccc(O)c(CN2CCN(CCCc3ccccc3)[C@H](CCO)C2)c1.
What is the InChIKey of 2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol?
The InChIKey is HQVPQNFWKWUNCD-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-28-22-9-10-23(27)20(16-22)17-24-13-14-25(21(18-24)11-15-26)12-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-10,16,21,26-27H,5,8,11-15,17-18H2,1H3/t21-/m1/s1.
What are the key properties of 2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol?
2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol has a molecular weight of 384.52 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol is sourced from PubChem (CID 51723076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).