4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine

C20H39FN2 — CID 140882005

IUPAC4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine
SMILESCC(C)(C)CN1CCC(F)(CN2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H39FN2/c1-18(2,3)15-23-13-9-20(21,10-14-23)16-22-11-7-17(8-12-22)19(4,5)6/h17H,7-16H2,1-6H3
InChIKeyPEKOXAYNMNRLMO-UHFFFAOYSA-N
MW326.54 g/mol
LogP4.59
Rot. Bonds3

About 4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine

4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine (PubChem CID 140882005) has the molecular formula C20H39FN2 and a molecular weight of 326.54 g/mol. Its IUPAC name is 4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine.

Molecular Properties

Compound Name4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine
PubChem CID140882005
Molecular FormulaC20H39FN2
Molecular Weight326.54 g/mol
Exact Mass326.31
IUPAC Name4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine
SMILESCC(C)(C)CN1CCC(F)(CN2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H39FN2/c1-18(2,3)15-23-13-9-20(21,10-14-23)16-22-11-7-17(8-12-22)19(4,5)6/h17H,7-16H2,1-6H3
InChIKeyPEKOXAYNMNRLMO-UHFFFAOYSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.54
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine?
The IUPAC name of 4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine (CID 140882005) is 4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine.
What is the SMILES notation for 4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine?
The canonical SMILES for 4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine is CC(C)(C)CN1CCC(F)(CN2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine?
The InChIKey is PEKOXAYNMNRLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39FN2/c1-18(2,3)15-23-13-9-20(21,10-14-23)16-22-11-7-17(8-12-22)19(4,5)6/h17H,7-16H2,1-6H3.
What are the key properties of 4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine?
4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine has a molecular weight of 326.54 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylpiperidin-1-yl)methyl]-1-(2,2-dimethylpropyl)-4-fluoropiperidine is sourced from PubChem (CID 140882005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).