1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine

C17H26N2O — CID 782078

IUPAC1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
SMILESCOc1ccccc1N1CCN([C@H]2CC[C@@H](C)C2)CC1
InChIInChI=1S/C17H26N2O/c1-14-7-8-15(13-14)18-9-11-19(12-10-18)16-5-3-4-6-17(16)20-2/h3-6,14-15H,7-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyUIXAGJDENQATEF-CABCVRRESA-N
MW274.41 g/mol
LogP3.01
Rot. Bonds3

About 1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine

1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine (PubChem CID 782078) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
PubChem CID782078
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
SMILESCOc1ccccc1N1CCN([C@H]2CC[C@@H](C)C2)CC1
InChIInChI=1S/C17H26N2O/c1-14-7-8-15(13-14)18-9-11-19(12-10-18)16-5-3-4-6-17(16)20-2/h3-6,14-15H,7-13H2,1-2H3/t14-,15+/m1/s1
InChIKeyUIXAGJDENQATEF-CABCVRRESA-N
XLogP3.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methylcyclohexan-1-amine
CID 82171456
1-(2-fluorophenyl)-4-[(1R,3R)-3-methylcyclopentyl]piperazine
CID 26458018
1-(2-fluorophenyl)-4-(3-methylcyclopentyl)piperazine
CID 2845312
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
3-[4-(2-methoxyphenyl)piperazin-1-yl]cyclopentan-1-one
CID 112723099
1-(2-methoxyphenyl)-4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 7441356
1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine
CID 6937921
1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
CID 124636506
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
CID 103983150
1-[1-(2-methoxyethyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 91811532

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine (CID 782078) is 1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine is COc1ccccc1N1CCN([C@H]2CC[C@@H](C)C2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine?
The InChIKey is UIXAGJDENQATEF-CABCVRRESA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-7-8-15(13-14)18-9-11-19(12-10-18)16-5-3-4-6-17(16)20-2/h3-6,14-15H,7-13H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine?
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine has a molecular weight of 274.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine is sourced from PubChem (CID 782078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).