2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol

C24H34N2O3 — CID 23724002

IUPAC2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCOc1cc(CN2CCN(CCCc3ccccc3)CC2CCO)cc(OC)c1
InChIInChI=1S/C24H34N2O3/c1-28-23-15-21(16-24(17-23)29-2)18-26-13-12-25(19-22(26)10-14-27)11-6-9-20-7-4-3-5-8-20/h3-5,7-8,15-17,22,27H,6,9-14,18-19H2,1-2H3
InChIKeyNAMLHHQXAPISTO-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.21
Rot. Bonds10

About 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol

2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol (PubChem CID 23724002) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol
PubChem CID23724002
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol
SMILESCOc1cc(CN2CCN(CCCc3ccccc3)CC2CCO)cc(OC)c1
InChIInChI=1S/C24H34N2O3/c1-28-23-15-21(16-24(17-23)29-2)18-26-13-12-25(19-22(26)10-14-27)11-6-9-20-7-4-3-5-8-20/h3-5,7-8,15-17,22,27H,6,9-14,18-19H2,1-2H3
InChIKeyNAMLHHQXAPISTO-UHFFFAOYSA-N
XLogP3.21
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-5-methoxyphenol
CID 23723691
2-[[(3R)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-4-methoxyphenol
CID 51723076
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 98587642
2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 51634610
2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98567856
2-[(2S)-1-(3-methylbutyl)-4-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 29208638
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-phenylpyrazolidin-4-yl)methyl]piperazin-2-yl]ethanol
CID 74558489
4-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]-2-methoxyphenol
CID 45246871
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(hydroxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 45212256
2-[(2R)-4-[(3,4-difluorophenyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98576280
2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45243889
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51901673

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol (CID 23724002) is 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol is COc1cc(CN2CCN(CCCc3ccccc3)CC2CCO)cc(OC)c1.
What is the InChIKey of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol?
The InChIKey is NAMLHHQXAPISTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-28-23-15-21(16-24(17-23)29-2)18-26-13-12-25(19-22(26)10-14-27)11-6-9-20-7-4-3-5-8-20/h3-5,7-8,15-17,22,27H,6,9-14,18-19H2,1-2H3.
What are the key properties of 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol?
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol has a molecular weight of 398.55 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethoxyphenyl)methyl]-4-(3-phenylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 23724002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).