2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol

C24H36N2O — CID 45194809

IUPAC2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccccc1CN1CCN(C2C3CC4CC(C3)CC2C4)CC1CCO
InChIInChI=1S/C24H36N2O/c1-17-4-2-3-5-20(17)15-25-7-8-26(16-23(25)6-9-27)24-21-11-18-10-19(13-21)14-22(24)12-18/h2-5,18-19,21-24,27H,6-16H2,1H3
InChIKeyYNPXYOHUDMRUFW-UHFFFAOYSA-N
MW368.57 g/mol
LogP3.69
Rot. Bonds5

About 2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 45194809) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID45194809
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccccc1CN1CCN(C2C3CC4CC(C3)CC2C4)CC1CCO
InChIInChI=1S/C24H36N2O/c1-17-4-2-3-5-20(17)15-25-7-8-26(16-23(25)6-9-27)24-21-11-18-10-19(13-21)14-22(24)12-18/h2-5,18-19,21-24,27H,6-16H2,1H3
InChIKeyYNPXYOHUDMRUFW-UHFFFAOYSA-N
XLogP3.69
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-4-(2-adamantyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98587839
2-[(2R)-1-[(2-methylphenyl)methyl]-4-[(5-methylthiophen-2-yl)methyl]piperazin-2-yl]ethanol
CID 98586577
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45240182
2-[1-[(2-methylphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-2-yl]ethanol
CID 45250534
2-[4-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperazin-2-yl]ethanol
CID 45208361
2-[1-[(2-methylphenyl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]ethanol
CID 45245970
2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 30673490
4-[[3-(2-hydroxyethyl)-4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 45239967
2-[(2S)-4-[(3,4-dimethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 51635489
2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45227496
2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-2-yl]ethanol
CID 30673653
2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45206531

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 45194809) is 2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is Cc1ccccc1CN1CCN(C2C3CC4CC(C3)CC2C4)CC1CCO.
What is the InChIKey of 2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is YNPXYOHUDMRUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-17-4-2-3-5-20(17)15-25-7-8-26(16-23(25)6-9-27)24-21-11-18-10-19(13-21)14-22(24)12-18/h2-5,18-19,21-24,27H,6-16H2,1H3.
What are the key properties of 2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 368.57 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-adamantyl)-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45194809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).