4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine

C15H28N2O2S — CID 114460469

IUPAC4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1=CCN(S(=O)(=O)CC2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2S/c1-15(2,3)14-6-10-17(11-7-14)20(18,19)12-13-4-8-16-9-5-13/h6,13,16H,4-5,7-12H2,1-3H3
InChIKeyYYIOTLRLCAZIAM-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.99
Rot. Bonds3

About 4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine

4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine (PubChem CID 114460469) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine
PubChem CID114460469
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1=CCN(S(=O)(=O)CC2CCNCC2)CC1
InChIInChI=1S/C15H28N2O2S/c1-15(2,3)14-6-10-17(11-7-14)20(18,19)12-13-4-8-16-9-5-13/h6,13,16H,4-5,7-12H2,1-3H3
InChIKeyYYIOTLRLCAZIAM-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]ethyl]piperazine
CID 114460472
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyrrolidin-3-ylethanone
CID 114460026
1-ethyl-4-(piperidin-4-ylmethylsulfonyl)piperazine
CID 54973856
3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-N-ethylpropan-1-amine
CID 114461001
2,6-dimethyl-4-(piperidin-4-ylmethylsulfonyl)morpholine
CID 54973979
[4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 114460479
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]propanoic acid
CID 114459831
1-(piperidin-4-ylmethylsulfonyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319979
1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine
CID 114490303
2-[5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethanol
CID 114460980
[3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-4-methylthiophen-2-yl]methanol
CID 102750275
[5-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methanol
CID 114460972

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine (CID 114460469) is 4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine is CC(C)(C)C1=CCN(S(=O)(=O)CC2CCNCC2)CC1.
What is the InChIKey of 4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine?
The InChIKey is YYIOTLRLCAZIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-15(2,3)14-6-10-17(11-7-14)20(18,19)12-13-4-8-16-9-5-13/h6,13,16H,4-5,7-12H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine?
4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine has a molecular weight of 300.47 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(piperidin-4-ylmethylsulfonyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114460469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).