1-tert-butylsulfonyl-4-phenylpiperidine

C15H23NO2S — CID 20680839

IUPAC1-tert-butylsulfonyl-4-phenylpiperidine
SMILESCC(C)(C)S(=O)(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)19(17,18)16-11-9-14(10-12-16)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKeyOMLVLWIZQVNOOW-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.99
Rot. Bonds2

About 1-tert-butylsulfonyl-4-phenylpiperidine

1-tert-butylsulfonyl-4-phenylpiperidine (PubChem CID 20680839) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-tert-butylsulfonyl-4-phenylpiperidine.

Molecular Properties

Compound Name1-tert-butylsulfonyl-4-phenylpiperidine
PubChem CID20680839
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name1-tert-butylsulfonyl-4-phenylpiperidine
SMILESCC(C)(C)S(=O)(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C15H23NO2S/c1-15(2,3)19(17,18)16-11-9-14(10-12-16)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKeyOMLVLWIZQVNOOW-UHFFFAOYSA-N
XLogP2.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(chloromethylsulfonyl)-4-phenylpiperidine
CID 63664113
3-phenylpyrrolidine-1-sulfonamide
CID 112687850
1-(4-phenylpiperidin-1-yl)sulfonylpiperazine
CID 61251949
2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid
CID 61457828
1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine
CID 155756449
(2R)-2-methyl-1-(4-phenylpiperidin-1-yl)sulfonylpiperidine
CID 39699146
1-tert-butylsulfonyl-4-chloropiperidine
CID 63689196
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
1-cyclopropylsulfonyl-4-(4-methylphenyl)piperidine
CID 118297009
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 51055229
1-fluoro-4-phenylpiperidine
CID 143940552
1-bromo-4-phenylpiperidine
CID 89020756

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonyl-4-phenylpiperidine?
The IUPAC name of 1-tert-butylsulfonyl-4-phenylpiperidine (CID 20680839) is 1-tert-butylsulfonyl-4-phenylpiperidine.
What is the SMILES notation for 1-tert-butylsulfonyl-4-phenylpiperidine?
The canonical SMILES for 1-tert-butylsulfonyl-4-phenylpiperidine is CC(C)(C)S(=O)(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-tert-butylsulfonyl-4-phenylpiperidine?
The InChIKey is OMLVLWIZQVNOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2,3)19(17,18)16-11-9-14(10-12-16)13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3.
What are the key properties of 1-tert-butylsulfonyl-4-phenylpiperidine?
1-tert-butylsulfonyl-4-phenylpiperidine has a molecular weight of 281.42 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonyl-4-phenylpiperidine is sourced from PubChem (CID 20680839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).