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

C23H31N3O3S — CID 42291255

IUPAC1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1
InChIInChI=1S/C23H31N3O3S/c1-29-23-12-6-5-11-22(23)25-16-14-24(15-17-25)21-10-7-13-26(18-21)30(27,28)19-20-8-3-2-4-9-20/h2-6,8-9,11-12,21H,7,10,13-19H2,1H3/t21-/m1/s1
InChIKeyMXTPXFDSYVGLMR-OAQYLSRUSA-N
MW429.59 g/mol
LogP2.81
Rot. Bonds6

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

1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine (PubChem CID 42291255) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
PubChem CID42291255
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1
InChIInChI=1S/C23H31N3O3S/c1-29-23-12-6-5-11-22(23)25-16-14-24(15-17-25)21-10-7-13-26(18-21)30(27,28)19-20-8-3-2-4-9-20/h2-6,8-9,11-12,21H,7,10,13-19H2,1H3/t21-/m1/s1
InChIKeyMXTPXFDSYVGLMR-OAQYLSRUSA-N
XLogP2.81
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
4-[(3R)-1-benzylsulfonylpiperidin-3-yl]morpholine
CID 25384275
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
CID 28786689
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
CID 45207866
2-(2-methoxyphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79930320
cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059
[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 42101485
1-(2-methoxyphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]piperazine
CID 45201347
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 45175750

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine (CID 42291255) is 1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1.
What is the InChIKey of 1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is MXTPXFDSYVGLMR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-29-23-12-6-5-11-22(23)25-16-14-24(15-17-25)21-10-7-13-26(18-21)30(27,28)19-20-8-3-2-4-9-20/h2-6,8-9,11-12,21H,7,10,13-19H2,1H3/t21-/m1/s1.
What are the key properties of 1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 429.59 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 42291255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).