4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol

C23H34N2O3 — CID 1148367

IUPAC4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc(OC)c1O
InChIInChI=1S/C23H34N2O3/c1-27-20-12-17(13-21(28-2)23(20)26)14-24-3-5-25(6-4-24)22-18-8-15-7-16(10-18)11-19(22)9-15/h12-13,15-16,18-19,22,26H,3-11,14H2,1-2H3
InChIKeyFPSITHGDVCVKRU-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.35
Rot. Bonds5

About 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol

4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol (PubChem CID 1148367) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
PubChem CID1148367
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc(OC)c1O
InChIInChI=1S/C23H34N2O3/c1-27-20-12-17(13-21(28-2)23(20)26)14-24-3-5-25(6-4-24)22-18-8-15-7-16(10-18)11-19(22)9-15/h12-13,15-16,18-19,22,26H,3-11,14H2,1-2H3
InChIKeyFPSITHGDVCVKRU-UHFFFAOYSA-N
XLogP3.35
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine
CID 23792304
1-(2-adamantyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 997983
2,6-dimethoxy-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenol;oxalic acid
CID 17366102
2,6-dimethoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82981697
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 791376
4-[[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 2880200
methyl 4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazine-1-carbodithioate
CID 19388427
4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 2901135
1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine
CID 23881244
1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine
CID 22193882
4-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1131780
2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82964690

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol (CID 1148367) is 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol is COc1cc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc(OC)c1O.
What is the InChIKey of 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
The InChIKey is FPSITHGDVCVKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-27-20-12-17(13-21(28-2)23(20)26)14-24-3-5-25(6-4-24)22-18-8-15-7-16(10-18)11-19(22)9-15/h12-13,15-16,18-19,22,26H,3-11,14H2,1-2H3.
What are the key properties of 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol?
4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol has a molecular weight of 386.54 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 1148367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).