4-(1-tert-butylpiperidin-3-yl)oxypyridine

C14H22N2O — CID 138636947

IUPAC4-(1-tert-butylpiperidin-3-yl)oxypyridine
SMILESCC(C)(C)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C14H22N2O/c1-14(2,3)16-10-4-5-13(11-16)17-12-6-8-15-9-7-12/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeyMTSHSMOSGNPDBB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.72
Rot. Bonds2

About 4-(1-tert-butylpiperidin-3-yl)oxypyridine

4-(1-tert-butylpiperidin-3-yl)oxypyridine (PubChem CID 138636947) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(1-tert-butylpiperidin-3-yl)oxypyridine.

Molecular Properties

Compound Name4-(1-tert-butylpiperidin-3-yl)oxypyridine
PubChem CID138636947
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(1-tert-butylpiperidin-3-yl)oxypyridine
SMILESCC(C)(C)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C14H22N2O/c1-14(2,3)16-10-4-5-13(11-16)17-12-6-8-15-9-7-12/h6-9,13H,4-5,10-11H2,1-3H3
InChIKeyMTSHSMOSGNPDBB-UHFFFAOYSA-N
XLogP2.72
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-tert-butylpiperidin-3-yl)oxy-2-chloropyridine
CID 87418046
1-tert-butyl-3-(2-methylpyrazol-3-yl)oxypiperidine
CID 138636935
3-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine
CID 18712952
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
1-tert-butyl-3-(2-methylphenoxy)piperidine
CID 18712970
1-(3-pyridin-4-yloxypiperidin-1-yl)but-2-en-1-one
CID 171137326
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine
CID 122256039
3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one
CID 122255705
(2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255743
N-tert-butyl-2-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]acetamide
CID 99631729
(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124568876

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpiperidin-3-yl)oxypyridine?
The IUPAC name of 4-(1-tert-butylpiperidin-3-yl)oxypyridine (CID 138636947) is 4-(1-tert-butylpiperidin-3-yl)oxypyridine.
What is the SMILES notation for 4-(1-tert-butylpiperidin-3-yl)oxypyridine?
The canonical SMILES for 4-(1-tert-butylpiperidin-3-yl)oxypyridine is CC(C)(C)N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of 4-(1-tert-butylpiperidin-3-yl)oxypyridine?
The InChIKey is MTSHSMOSGNPDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,3)16-10-4-5-13(11-16)17-12-6-8-15-9-7-12/h6-9,13H,4-5,10-11H2,1-3H3.
What are the key properties of 4-(1-tert-butylpiperidin-3-yl)oxypyridine?
4-(1-tert-butylpiperidin-3-yl)oxypyridine has a molecular weight of 234.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpiperidin-3-yl)oxypyridine is sourced from PubChem (CID 138636947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).