2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol

C24H36N2O2 — CID 98587839

IUPAC2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cccc(CN2CCN(C3C4CC5CC(C4)CC3C5)C[C@H]2CCO)c1
InChIInChI=1S/C24H36N2O2/c1-28-23-4-2-3-17(14-23)15-25-6-7-26(16-22(25)5-8-27)24-20-10-18-9-19(12-20)13-21(24)11-18/h2-4,14,18-22,24,27H,5-13,15-16H2,1H3/t18?,19?,20?,21?,22-,24?/m1/s1
InChIKeyXZJQZDDKCDBXGR-LZQJVVKJSA-N
MW384.56 g/mol
LogP3.39
Rot. Bonds6

About 2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol

2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 98587839) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID98587839
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
SMILESCOc1cccc(CN2CCN(C3C4CC5CC(C4)CC3C5)C[C@H]2CCO)c1
InChIInChI=1S/C24H36N2O2/c1-28-23-4-2-3-17(14-23)15-25-6-7-26(16-22(25)5-8-27)24-20-10-18-9-19(12-20)13-21(24)11-18/h2-4,14,18-22,24,27H,5-13,15-16H2,1H3/t18?,19?,20?,21?,22-,24?/m1/s1
InChIKeyXZJQZDDKCDBXGR-LZQJVVKJSA-N
XLogP3.39
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29151767
2-[(2R)-4-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51902403
2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45194809
4-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethylphenol
CID 29021868
4-[[(3S)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-methoxyphenol
CID 29208692
2-[4-[(2-fluorophenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45195244
2-[(2R)-1-[(3-methoxyphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 51902765
methyl 4-[[(3R)-3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 98566048
2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazin-2-yl]ethanol
CID 30675412
methyl 4-[[3-(2-hydroxyethyl)-4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 45180164
2-[1-[(3-methoxyphenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ethanol
CID 45228508
2-[(2S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 28739424

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol (CID 98587839) is 2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol is COc1cccc(CN2CCN(C3C4CC5CC(C4)CC3C5)C[C@H]2CCO)c1.
What is the InChIKey of 2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is XZJQZDDKCDBXGR-LZQJVVKJSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-28-23-4-2-3-17(14-23)15-25-6-7-26(16-22(25)5-8-27)24-20-10-18-9-19(12-20)13-21(24)11-18/h2-4,14,18-22,24,27H,5-13,15-16H2,1H3/t18?,19?,20?,21?,22-,24?/m1/s1.
What are the key properties of 2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol?
2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 384.56 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 98587839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).