2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol

C23H32N2O3 — CID 51635489

IUPAC2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)cc1OC
InChIInChI=1S/C23H32N2O3/c1-18-6-4-5-7-20(18)16-25-12-11-24(17-21(25)10-13-26)15-19-8-9-22(27-2)23(14-19)28-3/h4-9,14,21,26H,10-13,15-17H2,1-3H3/t21-/m0/s1
InChIKeyVHCXWULZPZTRCO-NRFANRHFSA-N
MW384.52 g/mol
LogP3.08
Rot. Bonds8

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

2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 51635489) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID51635489
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1ccc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)cc1OC
InChIInChI=1S/C23H32N2O3/c1-18-6-4-5-7-20(18)16-25-12-11-24(17-21(25)10-13-26)15-19-8-9-22(27-2)23(14-19)28-3/h4-9,14,21,26H,10-13,15-17H2,1-3H3/t21-/m0/s1
InChIKeyVHCXWULZPZTRCO-NRFANRHFSA-N
XLogP3.08
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 45239967
2-[4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45238053
2-[(2R)-4-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 98587425
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45206531
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45240182
2-[4-[(3-fluorophenyl)methyl]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 45193258
2-[4-[(2-fluoro-4-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45194079
2-[(2S)-4-[(2-fluoro-4-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 29088397
2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98586008
2-[(3S)-3-(2-hydroxyethyl)-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 95874444
2-[4-[(3,4-difluorophenyl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45188212
2-[(2S)-4-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-[(2-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29255314

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 51635489) is 2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is COc1ccc(CN2CCN(Cc3ccccc3C)[C@@H](CCO)C2)cc1OC.
What is the InChIKey of 2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is VHCXWULZPZTRCO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-18-6-4-5-7-20(18)16-25-12-11-24(17-21(25)10-13-26)15-19-8-9-22(27-2)23(14-19)28-3/h4-9,14,21,26H,10-13,15-17H2,1-3H3/t21-/m0/s1.
What are the key properties of 2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 384.52 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 51635489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).