4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine

C14H24N2 — CID 134277280

IUPAC4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine
SMILESCC(C)(C)C1C=CN=C(N2CCCCC2)C1
InChIInChI=1S/C14H24N2/c1-14(2,3)12-7-8-15-13(11-12)16-9-5-4-6-10-16/h7-8,12H,4-6,9-11H2,1-3H3
InChIKeyKBSZZSLTMMAJAU-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.45
Rot. Bonds

About 4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine

4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine (PubChem CID 134277280) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine
PubChem CID134277280
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine
SMILESCC(C)(C)C1C=CN=C(N2CCCCC2)C1
InChIInChI=1S/C14H24N2/c1-14(2,3)12-7-8-15-13(11-12)16-9-5-4-6-10-16/h7-8,12H,4-6,9-11H2,1-3H3
InChIKeyKBSZZSLTMMAJAU-UHFFFAOYSA-N
XLogP3.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine?
The IUPAC name of 4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine (CID 134277280) is 4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine.
What is the SMILES notation for 4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine?
The canonical SMILES for 4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine is CC(C)(C)C1C=CN=C(N2CCCCC2)C1.
What is the InChIKey of 4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine?
The InChIKey is KBSZZSLTMMAJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-14(2,3)12-7-8-15-13(11-12)16-9-5-4-6-10-16/h7-8,12H,4-6,9-11H2,1-3H3.
What are the key properties of 4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine?
4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine has a molecular weight of 220.36 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-piperidin-1-yl-3,4-dihydropyridine is sourced from PubChem (CID 134277280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).