5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine

C14H20F2N2 — CID 155742359

IUPAC5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine
SMILESCC(C)(C)c1ccc(N2CCC(F)(F)CC2)nc1
InChIInChI=1S/C14H20F2N2/c1-13(2,3)11-4-5-12(17-10-11)18-8-6-14(15,16)7-9-18/h4-5,10H,6-9H2,1-3H3
InChIKeyZHNDFQXSCYQXBT-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.61
Rot. Bonds1

About 5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine

5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine (PubChem CID 155742359) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine
PubChem CID155742359
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine
SMILESCC(C)(C)c1ccc(N2CCC(F)(F)CC2)nc1
InChIInChI=1S/C14H20F2N2/c1-13(2,3)11-4-5-12(17-10-11)18-8-6-14(15,16)7-9-18/h4-5,10H,6-9H2,1-3H3
InChIKeyZHNDFQXSCYQXBT-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183
5-tert-butyl-2-[4-(1-chloroethyl)piperidin-1-yl]pyridine
CID 107875656
3-[4-(5-tert-butyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 107874264
2-(6-pyrrolidin-1-yl-3-pyridinyl)propan-2-amine
CID 96861611
6-(4,4-difluoropiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 155021554
7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 170179138
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654405
1-(5-tert-butyl-2-pyridinyl)-N-ethylpiperidin-4-amine
CID 107874233
1-(5-tert-butyl-2-pyridinyl)-4-[2-(2-methylpropoxy)ethyl]piperazine
CID 153436946
1-(5-tert-butyl-2-pyridinyl)-4-(2-chloroethyl)-1,4-diazepane
CID 107875541

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine?
The IUPAC name of 5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine (CID 155742359) is 5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine.
What is the SMILES notation for 5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine?
The canonical SMILES for 5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine is CC(C)(C)c1ccc(N2CCC(F)(F)CC2)nc1.
What is the InChIKey of 5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine?
The InChIKey is ZHNDFQXSCYQXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-13(2,3)11-4-5-12(17-10-11)18-8-6-14(15,16)7-9-18/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine?
5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine has a molecular weight of 254.32 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(4,4-difluoropiperidin-1-yl)pyridine is sourced from PubChem (CID 155742359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).