1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine

C15H21N3O2S — CID 155756449

IUPAC1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine
SMILESCN1C=CN(S(=O)(=O)N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C15H21N3O2S/c1-16-11-12-18(13-16)21(19,20)17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3
InChIKeyGXHHYUOIZHRUBT-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.79
Rot. Bonds3

About 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine

1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine (PubChem CID 155756449) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine.

Molecular Properties

Compound Name1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine
PubChem CID155756449
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine
SMILESCN1C=CN(S(=O)(=O)N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C15H21N3O2S/c1-16-11-12-18(13-16)21(19,20)17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3
InChIKeyGXHHYUOIZHRUBT-UHFFFAOYSA-N
XLogP1.79
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylpiperidin-1-yl)sulfonylpiperazine
CID 61251949
1-tert-butylsulfonyl-4-phenylpiperidine
CID 20680839
(2R)-2-methyl-1-(4-phenylpiperidin-1-yl)sulfonylpiperidine
CID 39699146
1-(chloromethylsulfonyl)-4-phenylpiperidine
CID 63664113
3-phenylpyrrolidine-1-sulfonamide
CID 112687850
2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid
CID 61457828
N,N,N'-trimethyl-N'-[3-(4-phenylpiperidin-1-yl)sulfonylpropyl]propane-1,3-diamine
CID 91300434
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
ethanethiol;1-methyl-4-phenylpiperidine
CID 142821268
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
1-bromo-4-phenylpiperidine
CID 89020756

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine?
The IUPAC name of 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine (CID 155756449) is 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine.
What is the SMILES notation for 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine?
The canonical SMILES for 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine is CN1C=CN(S(=O)(=O)N2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine?
The InChIKey is GXHHYUOIZHRUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-16-11-12-18(13-16)21(19,20)17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3.
What are the key properties of 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine?
1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine has a molecular weight of 307.42 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2H-imidazol-1-yl)sulfonyl]-4-phenylpiperidine is sourced from PubChem (CID 155756449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).