1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine

C20H31N3O — CID 92709243

IUPAC1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN([C@@H]2CCCN(C3CCC3)C2)CC1
InChIInChI=1S/C20H31N3O/c1-24-20-10-3-2-9-19(20)22-14-12-21(13-15-22)18-8-5-11-23(16-18)17-6-4-7-17/h2-3,9-10,17-18H,4-8,11-16H2,1H3/t18-/m1/s1
InChIKeyYBMBSPLNWYILNJ-GOSISDBHSA-N
MW329.49 g/mol
LogP2.83
Rot. Bonds4

About 1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine

1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine (PubChem CID 92709243) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
PubChem CID92709243
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN([C@@H]2CCCN(C3CCC3)C2)CC1
InChIInChI=1S/C20H31N3O/c1-24-20-10-3-2-9-19(20)22-14-12-21(13-15-22)18-8-5-11-23(16-18)17-6-4-7-17/h2-3,9-10,17-18H,4-8,11-16H2,1H3/t18-/m1/s1
InChIKeyYBMBSPLNWYILNJ-GOSISDBHSA-N
XLogP2.83
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
CID 28786689
2-(2-methoxyphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79930320
ethyl 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate
CID 45246994
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
CID 45207866
4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
CID 103983150
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42567976
1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 95709049

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine (CID 92709243) is 1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN([C@@H]2CCCN(C3CCC3)C2)CC1.
What is the InChIKey of 1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is YBMBSPLNWYILNJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3O/c1-24-20-10-3-2-9-19(20)22-14-12-21(13-15-22)18-8-5-11-23(16-18)17-6-4-7-17/h2-3,9-10,17-18H,4-8,11-16H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 329.49 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 92709243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).