2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol

C24H34N2O3 — CID 45243889

IUPAC2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESOCCOc1cccc(CN2CCN(CCCc3ccccc3)C(CCO)C2)c1
InChIInChI=1S/C24H34N2O3/c27-15-11-23-20-25(19-22-8-4-10-24(18-22)29-17-16-28)13-14-26(23)12-5-9-21-6-2-1-3-7-21/h1-4,6-8,10,18,23,27-28H,5,9,11-17,19-20H2
InChIKeyDGDVNHVNRKINMU-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.56
Rot. Bonds11

About 2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol

2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 45243889) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID45243889
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESOCCOc1cccc(CN2CCN(CCCc3ccccc3)C(CCO)C2)c1
InChIInChI=1S/C24H34N2O3/c27-15-11-23-20-25(19-22-8-4-10-24(18-22)29-17-16-28)13-14-26(23)12-5-9-21-6-2-1-3-7-21/h1-4,6-8,10,18,23,27-28H,5,9,11-17,19-20H2
InChIKeyDGDVNHVNRKINMU-UHFFFAOYSA-N
XLogP2.56
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 51635094
2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-methylbut-2-enyl)piperazin-2-yl]ethanol
CID 45226674
4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 45246871
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45192797
2-[(2R)-4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 98571195
2-[1-cyclohexyl-4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 45233355
2-[4-(2,1,3-benzoxadiazol-5-ylmethyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45182539
2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 23723691
2-[4-[(4-ethynylphenyl)methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23723883
2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol
CID 51723076
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 45208333
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23724002

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 45243889) is 2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is OCCOc1cccc(CN2CCN(CCCc3ccccc3)C(CCO)C2)c1.
What is the InChIKey of 2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is DGDVNHVNRKINMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c27-15-11-23-20-25(19-22-8-4-10-24(18-22)29-17-16-28)13-14-26(23)12-5-9-21-6-2-1-3-7-21/h1-4,6-8,10,18,23,27-28H,5,9,11-17,19-20H2.
What are the key properties of 2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 398.55 g/mol, XLogP of 2.56, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45243889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).