1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine

C23H31N3O2S — CID 655238

IUPAC1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H31N3O2S/c1-20-7-9-23(10-8-20)29(27,28)26-17-15-25(16-18-26)22-11-13-24(14-12-22)19-21-5-3-2-4-6-21/h2-10,22H,11-19H2,1H3
InChIKeyBVAXYFGFDJWMEF-UHFFFAOYSA-N
MW413.59 g/mol
LogP2.97
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine

1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine (PubChem CID 655238) has the molecular formula C23H31N3O2S and a molecular weight of 413.59 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine
PubChem CID655238
Molecular FormulaC23H31N3O2S
Molecular Weight413.59 g/mol
Exact Mass413.21
IUPAC Name1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H31N3O2S/c1-20-7-9-23(10-8-20)29(27,28)26-17-15-25(16-18-26)22-11-13-24(14-12-22)19-21-5-3-2-4-6-21/h2-10,22H,11-19H2,1H3
InChIKeyBVAXYFGFDJWMEF-UHFFFAOYSA-N
XLogP2.97
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.59
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1317657
(1-benzylpiperidin-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 46774180
1-(benzenesulfonyl)-4-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 11712336
3-benzyl-8-(4-methylphenyl)sulfonyl-3,8-diazabicyclo[3.2.1]octane
CID 74600347
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
[(3R,4R)-1-benzyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrrolidin-3-yl] acetate
CID 24783884
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-(4-methylphenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 1072237
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
1-(azetidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine
CID 66201582
1-(1-benzylpiperidin-4-yl)-4-[(3-methylphenyl)methyl]piperazine;oxalic acid
CID 17366774

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine (CID 655238) is 1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C3CCN(Cc4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine?
The InChIKey is BVAXYFGFDJWMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S/c1-20-7-9-23(10-8-20)29(27,28)26-17-15-25(16-18-26)22-11-13-24(14-12-22)19-21-5-3-2-4-6-21/h2-10,22H,11-19H2,1H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine?
1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine has a molecular weight of 413.59 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-4-(4-methylphenyl)sulfonylpiperazine is sourced from PubChem (CID 655238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).