1-benzyl-4-(benzylsulfonylmethyl)piperidine

C20H25NO2S — CID 18919882

IUPAC1-benzyl-4-(benzylsulfonylmethyl)piperidine
SMILESO=S(=O)(Cc1ccccc1)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25NO2S/c22-24(23,16-19-9-5-2-6-10-19)17-20-11-13-21(14-12-20)15-18-7-3-1-4-8-18/h1-10,20H,11-17H2
InChIKeyFKYMHBNTNIGPAM-UHFFFAOYSA-N
MW343.49 g/mol
LogP3.51
Rot. Bonds6

About 1-benzyl-4-(benzylsulfonylmethyl)piperidine

1-benzyl-4-(benzylsulfonylmethyl)piperidine (PubChem CID 18919882) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 1-benzyl-4-(benzylsulfonylmethyl)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(benzylsulfonylmethyl)piperidine
PubChem CID18919882
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name1-benzyl-4-(benzylsulfonylmethyl)piperidine
SMILESO=S(=O)(Cc1ccccc1)CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25NO2S/c22-24(23,16-19-9-5-2-6-10-19)17-20-11-13-21(14-12-20)15-18-7-3-1-4-8-18/h1-10,20H,11-17H2
InChIKeyFKYMHBNTNIGPAM-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylpiperidin-4-yl)methanesulfonic acid
CID 150183274
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
6-(1-benzylpiperidin-4-yl)-3-benzylsulfonyl-3,6-diazabicyclo[3.2.0]heptane
CID 134076379
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837
5-[(1-benzylpiperidin-4-yl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 134077355
1-benzyl-3-ethylpyrrolidine
CID 12648208
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
(2S)-2-(benzylsulfonylmethyl)-1-methylpyrrolidine
CID 174401893
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
[1-[(3-bromophenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 75473118

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(benzylsulfonylmethyl)piperidine?
The IUPAC name of 1-benzyl-4-(benzylsulfonylmethyl)piperidine (CID 18919882) is 1-benzyl-4-(benzylsulfonylmethyl)piperidine.
What is the SMILES notation for 1-benzyl-4-(benzylsulfonylmethyl)piperidine?
The canonical SMILES for 1-benzyl-4-(benzylsulfonylmethyl)piperidine is O=S(=O)(Cc1ccccc1)CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(benzylsulfonylmethyl)piperidine?
The InChIKey is FKYMHBNTNIGPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c22-24(23,16-19-9-5-2-6-10-19)17-20-11-13-21(14-12-20)15-18-7-3-1-4-8-18/h1-10,20H,11-17H2.
What are the key properties of 1-benzyl-4-(benzylsulfonylmethyl)piperidine?
1-benzyl-4-(benzylsulfonylmethyl)piperidine has a molecular weight of 343.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(benzylsulfonylmethyl)piperidine is sourced from PubChem (CID 18919882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).