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

C19H37FN2 — CID 176630078

IUPAC4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoropiperidine
SMILESCC(C)(C)N1CCC(CN2CCC(F)(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37FN2/c1-17(2,3)19(20)9-13-21(14-10-19)15-16-7-11-22(12-8-16)18(4,5)6/h16H,7-15H2,1-6H3
InChIKeyKVXJXSILIGHYLA-UHFFFAOYSA-N
MW312.52 g/mol
LogP4.35
Rot. Bonds2

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

4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoropiperidine (PubChem CID 176630078) 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]-4-fluoropiperidine.

Molecular Properties

Compound Name4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoropiperidine
PubChem CID176630078
Molecular FormulaC19H37FN2
Molecular Weight312.52 g/mol
Exact Mass312.29
IUPAC Name4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoropiperidine
SMILESCC(C)(C)N1CCC(CN2CCC(F)(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H37FN2/c1-17(2,3)19(20)9-13-21(14-10-19)15-16-7-11-22(12-8-16)18(4,5)6/h16H,7-15H2,1-6H3
InChIKeyKVXJXSILIGHYLA-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
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]-4-fluoropiperidine?
The IUPAC name of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoropiperidine (CID 176630078) is 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoropiperidine.
What is the SMILES notation for 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoropiperidine?
The canonical SMILES for 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoropiperidine is CC(C)(C)N1CCC(CN2CCC(F)(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoropiperidine?
The InChIKey is KVXJXSILIGHYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FN2/c1-17(2,3)19(20)9-13-21(14-10-19)15-16-7-11-22(12-8-16)18(4,5)6/h16H,7-15H2,1-6H3.
What are the key properties of 4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoropiperidine?
4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-4-fluoropiperidine has a molecular weight of 312.52 g/mol, XLogP of 4.35, 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]-4-fluoropiperidine is sourced from PubChem (CID 176630078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).