1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine

C23H34N2O — CID 23881244

IUPAC1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1
InChIInChI=1S/C23H34N2O/c1-2-26-22-5-3-17(4-6-22)16-24-7-9-25(10-8-24)23-20-12-18-11-19(14-20)15-21(23)13-18/h3-6,18-21,23H,2,7-16H2,1H3
InChIKeyPJXOECGBTNYKQJ-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.03
Rot. Bonds5

About 1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine

1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine (PubChem CID 23881244) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine
PubChem CID23881244
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1
InChIInChI=1S/C23H34N2O/c1-2-26-22-5-3-17(4-6-22)16-24-7-9-25(10-8-24)23-20-12-18-11-19(14-20)15-21(23)13-18/h3-6,18-21,23H,2,7-16H2,1H3
InChIKeyPJXOECGBTNYKQJ-UHFFFAOYSA-N
XLogP4.03
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-adamantyl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine
CID 23792304
1-(2-adamantyl)-4-[(4-bromophenyl)methyl]piperazine
CID 22193882
1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine
CID 2881274
1-[(4-ethoxyphenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine;oxalic acid
CID 2902011
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
1-[(4-ethoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine
CID 883444
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[(4-ethoxyphenyl)methyl]piperazine
CID 6559377
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
1-(2-adamantyl)-4-ethylpiperazine
CID 783904

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine (CID 23881244) is 1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine is CCOc1ccc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc1.
What is the InChIKey of 1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine?
The InChIKey is PJXOECGBTNYKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-2-26-22-5-3-17(4-6-22)16-24-7-9-25(10-8-24)23-20-12-18-11-19(14-20)15-21(23)13-18/h3-6,18-21,23H,2,7-16H2,1H3.
What are the key properties of 1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine?
1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine has a molecular weight of 354.54 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-[(4-ethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 23881244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).