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

C22H36N4O — CID 28786689

IUPAC1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
SMILESCOc1ccccc1N1CCN([C@@H]2CCCN(C3CCN(C)CC3)C2)CC1
InChIInChI=1S/C22H36N4O/c1-23-12-9-19(10-13-23)26-11-5-6-20(18-26)24-14-16-25(17-15-24)21-7-3-4-8-22(21)27-2/h3-4,7-8,19-20H,5-6,9-18H2,1-2H3/t20-/m1/s1
InChIKeyXTJNADRCIKHDHR-HXUWFJFHSA-N
MW372.56 g/mol
LogP2.38
Rot. Bonds4

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

1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine (PubChem CID 28786689) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
PubChem CID28786689
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
SMILESCOc1ccccc1N1CCN([C@@H]2CCCN(C3CCN(C)CC3)C2)CC1
InChIInChI=1S/C22H36N4O/c1-23-12-9-19(10-13-23)26-11-5-6-20(18-26)24-14-16-25(17-15-24)21-7-3-4-8-22(21)27-2/h3-4,7-8,19-20H,5-6,9-18H2,1-2H3/t20-/m1/s1
InChIKeyXTJNADRCIKHDHR-HXUWFJFHSA-N
XLogP2.38
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
ethyl 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate
CID 45246994
[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 42101485
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 45175750
2-(2-methoxyphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79930320
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
CID 45207866
4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
CID 103983150
1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 95709049
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
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-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine (CID 28786689) is 1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine is COc1ccccc1N1CCN([C@@H]2CCCN(C3CCN(C)CC3)C2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine?
The InChIKey is XTJNADRCIKHDHR-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H36N4O/c1-23-12-9-19(10-13-23)26-11-5-6-20(18-26)24-14-16-25(17-15-24)21-7-3-4-8-22(21)27-2/h3-4,7-8,19-20H,5-6,9-18H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine?
1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine has a molecular weight of 372.56 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine is sourced from PubChem (CID 28786689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).