1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine

C20H25NO3S — CID 154721453

IUPAC1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(OC(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO3S/c1-16-8-10-20(11-9-16)25(22,23)21-14-12-19(13-15-21)24-17(2)18-6-4-3-5-7-18/h3-11,17,19H,12-15H2,1-2H3
InChIKeyHDSFFHRCQIDJIS-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.93
Rot. Bonds5

About 1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine

1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine (PubChem CID 154721453) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine
PubChem CID154721453
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(OC(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H25NO3S/c1-16-8-10-20(11-9-16)25(22,23)21-14-12-19(13-15-21)24-17(2)18-6-4-3-5-7-18/h3-11,17,19H,12-15H2,1-2H3
InChIKeyHDSFFHRCQIDJIS-UHFFFAOYSA-N
XLogP3.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]oxyacetic acid
CID 63876826
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
N-[(1R)-3-methyl-1-phenylbutyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 25478191
1,3-bis-(4-methylphenyl)sulfonyl-5-[(1R)-1-phenylethyl]-1,3,5-triazinane
CID 155931567
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40966975
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-diphenylmethanol
CID 4784925
N-(3,3-diphenylpropyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 26796402
1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 43373233
[1-oxo-1-(1-phenylbutylamino)propan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 46811219
(3S)-N-benzhydryl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078436
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
1-(4-methylphenyl)sulfonyl-4-propan-2-ylpiperazin-4-ium
CID 4743157

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine (CID 154721453) is 1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine is Cc1ccc(S(=O)(=O)N2CCC(OC(C)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine?
The InChIKey is HDSFFHRCQIDJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-16-8-10-20(11-9-16)25(22,23)21-14-12-19(13-15-21)24-17(2)18-6-4-3-5-7-18/h3-11,17,19H,12-15H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine?
1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine has a molecular weight of 359.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-(1-phenylethoxy)piperidine is sourced from PubChem (CID 154721453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).