3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine

C15H24N2 — CID 121450514

IUPAC3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
SMILESCC(C)(C)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C15H24N2/c1-15(2,3)17-9-6-13(7-10-17)11-14-5-4-8-16-12-14/h4-5,8,12-13H,6-7,9-11H2,1-3H3
InChIKeyAGPFOLJYUFCMNK-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.13
Rot. Bonds2

About 3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine

3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine (PubChem CID 121450514) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
PubChem CID121450514
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
SMILESCC(C)(C)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C15H24N2/c1-15(2,3)17-9-6-13(7-10-17)11-14-5-4-8-16-12-14/h4-5,8,12-13H,6-7,9-11H2,1-3H3
InChIKeyAGPFOLJYUFCMNK-UHFFFAOYSA-N
XLogP3.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine
CID 175739171
3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
CID 120849136
3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
4-benzyl-1-(2-methylbutan-2-yl)piperidine
CID 70930058
3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine
CID 75451917
4-[4-(pyridin-3-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 166213016
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine
CID 120903790
4-(pyridin-3-ylmethyl)cyclohexane-1-carboxylic acid
CID 83822125
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394

Frequently Asked Questions

What is the IUPAC name of 3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine?
The IUPAC name of 3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine (CID 121450514) is 3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine.
What is the SMILES notation for 3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine?
The canonical SMILES for 3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine is CC(C)(C)N1CCC(Cc2cccnc2)CC1.
What is the InChIKey of 3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine?
The InChIKey is AGPFOLJYUFCMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-15(2,3)17-9-6-13(7-10-17)11-14-5-4-8-16-12-14/h4-5,8,12-13H,6-7,9-11H2,1-3H3.
What are the key properties of 3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine?
3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine has a molecular weight of 232.37 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine is sourced from PubChem (CID 121450514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).