1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine

C28H41N3O2S — CID 10345208

IUPAC1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine
SMILESCS(=O)(=O)N1CCN(C(CCN2CCC(CCCc3ccccc3)CC2)c2ccccc2)CC1
InChIInChI=1S/C28H41N3O2S/c1-34(32,33)31-23-21-30(22-24-31)28(27-13-6-3-7-14-27)17-20-29-18-15-26(16-19-29)12-8-11-25-9-4-2-5-10-25/h2-7,9-10,13-14,26,28H,8,11-12,15-24H2,1H3
InChIKeyOTAUBUBNDOUOFU-UHFFFAOYSA-N
MW483.72 g/mol
LogP4.43
Rot. Bonds10

About 1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine

1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine (PubChem CID 10345208) has the molecular formula C28H41N3O2S and a molecular weight of 483.72 g/mol. Its IUPAC name is 1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine.

Molecular Properties

Compound Name1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine
PubChem CID10345208
Molecular FormulaC28H41N3O2S
Molecular Weight483.72 g/mol
Exact Mass483.29
IUPAC Name1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine
SMILESCS(=O)(=O)N1CCN(C(CCN2CCC(CCCc3ccccc3)CC2)c2ccccc2)CC1
InChIInChI=1S/C28H41N3O2S/c1-34(32,33)31-23-21-30(22-24-31)28(27-13-6-3-7-14-27)17-20-29-18-15-26(16-19-29)12-8-11-25-9-4-2-5-10-25/h2-7,9-10,13-14,26,28H,8,11-12,15-24H2,1H3
InChIKeyOTAUBUBNDOUOFU-UHFFFAOYSA-N
XLogP4.43
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.72
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
1-(benzenesulfonyl)-4-[(1S)-1-phenyl-3-piperidin-1-ylpropyl]piperazine
CID 141129080
1-methylsulfonyl-4-(3-phenylpropyl)piperazine;oxalic acid
CID 17365969
1-butyl-4-(1,3-diphenylpropyl)piperazine
CID 67570000
(2R)-N-(cyclohexylmethyl)-N-methyl-2-phenyl-4-[4-(3-phenylpropyl)piperidin-1-yl]butan-1-amine
CID 101147371
N-ethyl-N-[1-[3-(4-ethylsulfonylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 57403931
N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-[3-phenyl-3-[4-(2,2,2-trifluoroethylsulfonyl)piperazin-1-yl]propyl]piperidin-4-yl]acetamide
CID 3011733
1-methylsulfonyl-4-(4-phenylbutan-2-yl)piperazine;oxalic acid
CID 2901582
1,4-bis(2-phenylethyl)piperidine
CID 86059939
1-(3-chloro-3-phenylpropyl)-4-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine
CID 58694767
1-[2-(4-fluorophenyl)ethyl]-4-[5-(4-fluorophenyl)-1-phenylpentyl]piperazine
CID 138460070
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine?
The IUPAC name of 1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine (CID 10345208) is 1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine.
What is the SMILES notation for 1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine?
The canonical SMILES for 1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine is CS(=O)(=O)N1CCN(C(CCN2CCC(CCCc3ccccc3)CC2)c2ccccc2)CC1.
What is the InChIKey of 1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine?
The InChIKey is OTAUBUBNDOUOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N3O2S/c1-34(32,33)31-23-21-30(22-24-31)28(27-13-6-3-7-14-27)17-20-29-18-15-26(16-19-29)12-8-11-25-9-4-2-5-10-25/h2-7,9-10,13-14,26,28H,8,11-12,15-24H2,1H3.
What are the key properties of 1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine?
1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine has a molecular weight of 483.72 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-4-[1-phenyl-3-[4-(3-phenylpropyl)piperidin-1-yl]propyl]piperazine is sourced from PubChem (CID 10345208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).