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

C23H32N2O3 — CID 45246871

IUPAC4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1cc(CN2CCN(CCCc3ccccc3)C(CCO)C2)ccc1O
InChIInChI=1S/C23H32N2O3/c1-28-23-16-20(9-10-22(23)27)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
InChIKeyZZCYBPJHHDEQSJ-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.90
Rot. Bonds9

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

4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol (PubChem CID 45246871) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol
PubChem CID45246871
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol
SMILESCOc1cc(CN2CCN(CCCc3ccccc3)C(CCO)C2)ccc1O
InChIInChI=1S/C23H32N2O3/c1-28-23-16-20(9-10-22(23)27)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
InChIKeyZZCYBPJHHDEQSJ-UHFFFAOYSA-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

Analyze 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol with MolForge

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Related Compounds

2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol
CID 51723076
2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 23723691
4-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-methoxyphenol
CID 29208692
2-[1-(3-phenylpropyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45211000
2-[(2S)-4-[(2,3-dimethoxyphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29212312
2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45243889
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45192797
4-chloro-2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol
CID 45219951
2-[4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45182539
2-[4-[(4-ethynylphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23723883
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45217591
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23724002

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol (CID 45246871) is 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol is COc1cc(CN2CCN(CCCc3ccccc3)C(CCO)C2)ccc1O.
What is the InChIKey of 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol?
The InChIKey is ZZCYBPJHHDEQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-28-23-16-20(9-10-22(23)27)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.
What are the key properties of 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol?
4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-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 4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 45246871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).