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

C24H46FN3 — CID 172511522

IUPAC1-(1-tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine
SMILESCC(C)(C)C1CCN(CC2(F)CCN(C3CCN(C(C)(C)C)CC3)CC2)CC1
InChIInChI=1S/C24H46FN3/c1-22(2,3)20-7-13-26(14-8-20)19-24(25)11-17-27(18-12-24)21-9-15-28(16-10-21)23(4,5)6/h20-21H,7-19H2,1-6H3
InChIKeyZMTIAHBWEQGGNI-UHFFFAOYSA-N
MW395.65 g/mol
LogP4.81
Rot. Bonds3

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

1-(1-tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine (PubChem CID 172511522) has the molecular formula C24H46FN3 and a molecular weight of 395.65 g/mol. Its IUPAC name is 1-(1-tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine.

Molecular Properties

Compound Name1-(1-tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine
PubChem CID172511522
Molecular FormulaC24H46FN3
Molecular Weight395.65 g/mol
Exact Mass395.37
IUPAC Name1-(1-tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine
SMILESCC(C)(C)C1CCN(CC2(F)CCN(C3CCN(C(C)(C)C)CC3)CC2)CC1
InChIInChI=1S/C24H46FN3/c1-22(2,3)20-7-13-26(14-8-20)19-24(25)11-17-27(18-12-24)21-9-15-28(16-10-21)23(4,5)6/h20-21H,7-19H2,1-6H3
InChIKeyZMTIAHBWEQGGNI-UHFFFAOYSA-N
XLogP4.81
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.65
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine?
The IUPAC name of 1-(1-tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine (CID 172511522) is 1-(1-tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine.
What is the SMILES notation for 1-(1-tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine?
The canonical SMILES for 1-(1-tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine is CC(C)(C)C1CCN(CC2(F)CCN(C3CCN(C(C)(C)C)CC3)CC2)CC1.
What is the InChIKey of 1-(1-tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine?
The InChIKey is ZMTIAHBWEQGGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46FN3/c1-22(2,3)20-7-13-26(14-8-20)19-24(25)11-17-27(18-12-24)21-9-15-28(16-10-21)23(4,5)6/h20-21H,7-19H2,1-6H3.
What are the key properties of 1-(1-tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine?
1-(1-tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine has a molecular weight of 395.65 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpiperidin-4-yl)-4-[(4-tert-butylpiperidin-1-yl)methyl]-4-fluoropiperidine is sourced from PubChem (CID 172511522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).