2-tert-butyl-5-piperidin-3-ylpyridine

C14H22N2 — CID 134595467

IUPAC2-tert-butyl-5-piperidin-3-ylpyridine
SMILESCC(C)(C)c1ccc(C2CCCNC2)cn1
InChIInChI=1S/C14H22N2/c1-14(2,3)13-7-6-12(10-16-13)11-5-4-8-15-9-11/h6-7,10-11,15H,4-5,8-9H2,1-3H3
InChIKeyUHWBMEUMNLOIAV-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.85
Rot. Bonds1

About 2-tert-butyl-5-piperidin-3-ylpyridine

2-tert-butyl-5-piperidin-3-ylpyridine (PubChem CID 134595467) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-tert-butyl-5-piperidin-3-ylpyridine.

Molecular Properties

Compound Name2-tert-butyl-5-piperidin-3-ylpyridine
PubChem CID134595467
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-tert-butyl-5-piperidin-3-ylpyridine
SMILESCC(C)(C)c1ccc(C2CCCNC2)cn1
InChIInChI=1S/C14H22N2/c1-14(2,3)13-7-6-12(10-16-13)11-5-4-8-15-9-11/h6-7,10-11,15H,4-5,8-9H2,1-3H3
InChIKeyUHWBMEUMNLOIAV-UHFFFAOYSA-N
XLogP2.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(azetidin-3-yl)-2-tert-butylpyridine
CID 162745774
N,N-dimethyl-5-piperidin-3-ylpyridin-2-amine
CID 82659230
3-(4-tert-butylphenyl)piperidine
CID 24904200
2-fluoro-5-piperidin-3-ylpyridine
CID 24904338
2-methoxy-5-[(3R)-piperidin-3-yl]pyridine
CID 93478601
2-tert-butyl-5-(1-methylpiperidin-4-yl)pyridine
CID 122472514
3-[4-(2,2-dimethylpropyl)phenyl]piperidine
CID 117335235
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
CID 93256100
5-cyclobutyl-2-(trifluoromethyl)pyridine
CID 167467785
5-(azetidin-3-yloxy)-2-tert-butylpyridine
CID 134595579
2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole
CID 117439012
2-[4-[(3R)-piperidin-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 58315615

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-piperidin-3-ylpyridine?
The IUPAC name of 2-tert-butyl-5-piperidin-3-ylpyridine (CID 134595467) is 2-tert-butyl-5-piperidin-3-ylpyridine.
What is the SMILES notation for 2-tert-butyl-5-piperidin-3-ylpyridine?
The canonical SMILES for 2-tert-butyl-5-piperidin-3-ylpyridine is CC(C)(C)c1ccc(C2CCCNC2)cn1.
What is the InChIKey of 2-tert-butyl-5-piperidin-3-ylpyridine?
The InChIKey is UHWBMEUMNLOIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,3)13-7-6-12(10-16-13)11-5-4-8-15-9-11/h6-7,10-11,15H,4-5,8-9H2,1-3H3.
What are the key properties of 2-tert-butyl-5-piperidin-3-ylpyridine?
2-tert-butyl-5-piperidin-3-ylpyridine has a molecular weight of 218.34 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-piperidin-3-ylpyridine is sourced from PubChem (CID 134595467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).