1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine

C15H23NO2S — CID 169211755

IUPAC1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine
SMILESCC(C)C1CCC(c2ccccc2)N(S(C)(=O)=O)C1
InChIInChI=1S/C15H23NO2S/c1-12(2)14-9-10-15(13-7-5-4-6-8-13)16(11-14)19(3,17)18/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeySCPRFJLECOAAQK-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.06
Rot. Bonds3

About 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine

1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine (PubChem CID 169211755) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine
PubChem CID169211755
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine
SMILESCC(C)C1CCC(c2ccccc2)N(S(C)(=O)=O)C1
InChIInChI=1S/C15H23NO2S/c1-12(2)14-9-10-15(13-7-5-4-6-8-13)16(11-14)19(3,17)18/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeySCPRFJLECOAAQK-UHFFFAOYSA-N
XLogP3.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine
CID 82249420
4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride
CID 47013193
1-[1-(2,5-diphenylpyrrolidin-1-yl)ethyl]-2,5-diphenylpyrrolidine
CID 89471638
2-phenyl-1,4-di(propan-2-yl)pyrrolidine
CID 58778539
4-cyclopropyl-2-phenyl-1-propan-2-ylsulfonylpiperazine
CID 90566974
(3S)-1-(benzenesulfonyl)-3-propan-2-ylpiperidine
CID 58394752
1-methylsulfonyl-2-phenyl-1,4-diazepane
CID 82245286
2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine
CID 110740568
1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
2-phenyl-1,5-di(propan-2-yl)pyrrolidine
CID 21303250
3-methyl-7-methylsulfonyl-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 110117585
1-[1-(3,5-dimethylphenyl)ethylsulfonyl]-2-phenylazetidine
CID 166397351

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine?
The IUPAC name of 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine (CID 169211755) is 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine.
What is the SMILES notation for 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine?
The canonical SMILES for 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine is CC(C)C1CCC(c2ccccc2)N(S(C)(=O)=O)C1.
What is the InChIKey of 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine?
The InChIKey is SCPRFJLECOAAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(2)14-9-10-15(13-7-5-4-6-8-13)16(11-14)19(3,17)18/h4-8,12,14-15H,9-11H2,1-3H3.
What are the key properties of 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine?
1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine has a molecular weight of 281.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperidine is sourced from PubChem (CID 169211755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).