4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine

C19H34N2 — CID 138580321

IUPAC4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine
SMILESCC1C(N2CCC(C(C)(C)C)CC2)=NC=CC1C(C)(C)C
InChIInChI=1S/C19H34N2/c1-14-16(19(5,6)7)8-11-20-17(14)21-12-9-15(10-13-21)18(2,3)4/h8,11,14-16H,9-10,12-13H2,1-7H3
InChIKeyQHGFBKGLUGIISC-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.97
Rot. Bonds

About 4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine

4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine (PubChem CID 138580321) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine
PubChem CID138580321
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine
SMILESCC1C(N2CCC(C(C)(C)C)CC2)=NC=CC1C(C)(C)C
InChIInChI=1S/C19H34N2/c1-14-16(19(5,6)7)8-11-20-17(14)21-12-9-15(10-13-21)18(2,3)4/h8,11,14-16H,9-10,12-13H2,1-7H3
InChIKeyQHGFBKGLUGIISC-UHFFFAOYSA-N
XLogP4.97
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.97
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-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine?
The IUPAC name of 4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine (CID 138580321) is 4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine is CC1C(N2CCC(C(C)(C)C)CC2)=NC=CC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine?
The InChIKey is QHGFBKGLUGIISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-14-16(19(5,6)7)8-11-20-17(14)21-12-9-15(10-13-21)18(2,3)4/h8,11,14-16H,9-10,12-13H2,1-7H3.
What are the key properties of 4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine?
4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine has a molecular weight of 290.50 g/mol, XLogP of 4.97, 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-(4-tert-butylpiperidin-1-yl)-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 138580321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).