(3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine

C19H30N2O2S — CID 39977519

IUPAC(3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine
SMILESC[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H30N2O2S/c1-16-12-17(2)15-21(14-16)24(22,23)20-10-8-19(9-11-20)13-18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3/t16-,17-/m0/s1
InChIKeyAYGXPSZCUWSWHM-IRXDYDNUSA-N
MW350.53 g/mol
LogP3.16
Rot. Bonds4

About (3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine

(3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine (PubChem CID 39977519) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is (3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine
PubChem CID39977519
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name(3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine
SMILESC[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H30N2O2S/c1-16-12-17(2)15-21(14-16)24(22,23)20-10-8-19(9-11-20)13-18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3/t16-,17-/m0/s1
InChIKeyAYGXPSZCUWSWHM-IRXDYDNUSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine
CID 75872723
1-(4-benzylpiperidin-1-yl)-2-(3,5-dimethylpiperidin-1-yl)ethane-1,2-dione
CID 108506992
4-benzyl-1-(chloromethylsulfonyl)piperidine
CID 63666156
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
[4-(4-benzylpiperidin-1-yl)sulfonyl-1,2,5-trimethylpyrrol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 20958540
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121783
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
(2R)-3-(4-benzylpiperidin-1-yl)sulfonyl-2-methylpropanoic acid
CID 42035725
methyl 2-(4-benzylpiperidin-1-yl)sulfonylacetate
CID 22052581
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1,4-benzoxazin-3-one
CID 98209013
4-benzyl-1-propan-2-ylpiperidine
CID 22959492

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine?
The IUPAC name of (3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine (CID 39977519) is (3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine.
What is the SMILES notation for (3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine?
The canonical SMILES for (3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine is C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of (3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine?
The InChIKey is AYGXPSZCUWSWHM-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-16-12-17(2)15-21(14-16)24(22,23)20-10-8-19(9-11-20)13-18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine?
(3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine has a molecular weight of 350.53 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-(4-benzylpiperidin-1-yl)sulfonyl-3,5-dimethylpiperidine is sourced from PubChem (CID 39977519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).