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

C19H37FN2 — CID 176629936

IUPAC4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine
SMILESCC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1F
InChIInChI=1S/C19H37FN2/c1-18(2,3)16-9-10-21(14-17(16)20)13-15-7-11-22(12-8-15)19(4,5)6/h15-17H,7-14H2,1-6H3
InChIKeyYYFFGLHVAHATDD-UHFFFAOYSA-N
MW312.52 g/mol
LogP4.20
Rot. Bonds2

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

4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine (PubChem CID 176629936) has the molecular formula C19H37FN2 and a molecular weight of 312.52 g/mol. Its IUPAC name is 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine
PubChem CID176629936
Molecular FormulaC19H37FN2
Molecular Weight312.52 g/mol
Exact Mass312.29
IUPAC Name4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine
SMILESCC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1F
InChIInChI=1S/C19H37FN2/c1-18(2,3)16-9-10-21(14-17(16)20)13-15-7-11-22(12-8-15)19(4,5)6/h15-17H,7-14H2,1-6H3
InChIKeyYYFFGLHVAHATDD-UHFFFAOYSA-N
XLogP4.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine?
The IUPAC name of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine (CID 176629936) is 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine.
What is the SMILES notation for 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine?
The canonical SMILES for 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine is CC(C)(C)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1F.
What is the InChIKey of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine?
The InChIKey is YYFFGLHVAHATDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FN2/c1-18(2,3)16-9-10-21(14-17(16)20)13-15-7-11-22(12-8-15)19(4,5)6/h15-17H,7-14H2,1-6H3.
What are the key properties of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine?
4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine has a molecular weight of 312.52 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3-fluoropiperidine is sourced from PubChem (CID 176629936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).