1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine

C22H36N2O2S — CID 46287342

IUPAC1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(CC2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1
InChIInChI=1S/C22H36N2O2S/c1-18-9-13-23(14-10-18)17-19-11-15-24(16-12-19)27(25,26)21-7-5-20(6-8-21)22(2,3)4/h5-8,18-19H,9-17H2,1-4H3
InChIKeyHGXLFIZUODWEJV-UHFFFAOYSA-N
MW392.61 g/mol
LogP4.12
Rot. Bonds4

About 1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine

1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine (PubChem CID 46287342) has the molecular formula C22H36N2O2S and a molecular weight of 392.61 g/mol. Its IUPAC name is 1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
PubChem CID46287342
Molecular FormulaC22H36N2O2S
Molecular Weight392.61 g/mol
Exact Mass392.25
IUPAC Name1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(CC2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1
InChIInChI=1S/C22H36N2O2S/c1-18-9-13-23(14-10-18)17-19-11-15-24(16-12-19)27(25,26)21-7-5-20(6-8-21)22(2,3)4/h5-8,18-19H,9-17H2,1-4H3
InChIKeyHGXLFIZUODWEJV-UHFFFAOYSA-N
XLogP4.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.61
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[[1-(2-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 46287345
1-[[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287364
1-(cyclopropylmethyl)-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 87024873
3-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylbenzonitrile
CID 46287371
4-(4-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 841440
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974952
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 2950793
1-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperazin-1-ium
CID 6972146
1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287400
1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287394

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine (CID 46287342) is 1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine is CC1CCN(CC2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)CC1.
What is the InChIKey of 1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The InChIKey is HGXLFIZUODWEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2S/c1-18-9-13-23(14-10-18)17-19-11-15-24(16-12-19)27(25,26)21-7-5-20(6-8-21)22(2,3)4/h5-8,18-19H,9-17H2,1-4H3.
What are the key properties of 1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine has a molecular weight of 392.61 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine is sourced from PubChem (CID 46287342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).