1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine

C24H36N2O2 — CID 23792304

IUPAC1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine
SMILESCCOc1cc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)ccc1OC
InChIInChI=1S/C24H36N2O2/c1-3-28-23-15-17(4-5-22(23)27-2)16-25-6-8-26(9-7-25)24-20-11-18-10-19(13-20)14-21(24)12-18/h4-5,15,18-21,24H,3,6-14,16H2,1-2H3
InChIKeyNWJURRWKROSPDY-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.04
Rot. Bonds6

About 1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine

1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine (PubChem CID 23792304) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine
PubChem CID23792304
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine
SMILESCCOc1cc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)ccc1OC
InChIInChI=1S/C24H36N2O2/c1-3-28-23-15-17(4-5-22(23)27-2)16-25-6-8-26(9-7-25)24-20-11-18-10-19(13-20)14-21(24)12-18/h4-5,15,18-21,24H,3,6-14,16H2,1-2H3
InChIKeyNWJURRWKROSPDY-UHFFFAOYSA-N
XLogP4.04
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine
CID 23881244
4-[[4-(2-adamantyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1148367
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 1148322
1-(2-adamantyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 997983
(1R,8aS)-1-cyclohexyl-2-[(3-ethoxy-4-methoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124750464
(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937270
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1150416
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-ethylpyrimidin-2-amine
CID 68781049
3-[4-[(4-ethoxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanenitrile
CID 54856379
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 765023
1-[(3,4-dimethoxyphenyl)methyl]-4-propylsulfonylpiperazine
CID 770674
5-(3,4-dimethoxyphenyl)-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 68787116

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine (CID 23792304) is 1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine is CCOc1cc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)ccc1OC.
What is the InChIKey of 1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine?
The InChIKey is NWJURRWKROSPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-3-28-23-15-17(4-5-22(23)27-2)16-25-6-8-26(9-7-25)24-20-11-18-10-19(13-20)14-21(24)12-18/h4-5,15,18-21,24H,3,6-14,16H2,1-2H3.
What are the key properties of 1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine?
1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine has a molecular weight of 384.56 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 23792304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).