1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol

C13H23F2NO — CID 90419709

IUPAC1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol
SMILESCC(C)(C)N1CCC(O)(CC2CC2(F)F)CC1
InChIInChI=1S/C13H23F2NO/c1-11(2,3)16-6-4-12(17,5-7-16)8-10-9-13(10,14)15/h10,17H,4-9H2,1-3H3
InChIKeyKQAAMUTYGIXKDM-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.66
Rot. Bonds2

About 1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol

1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol (PubChem CID 90419709) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol
PubChem CID90419709
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol
SMILESCC(C)(C)N1CCC(O)(CC2CC2(F)F)CC1
InChIInChI=1S/C13H23F2NO/c1-11(2,3)16-6-4-12(17,5-7-16)8-10-9-13(10,14)15/h10,17H,4-9H2,1-3H3
InChIKeyKQAAMUTYGIXKDM-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol?
The IUPAC name of 1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol (CID 90419709) is 1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol is CC(C)(C)N1CCC(O)(CC2CC2(F)F)CC1.
What is the InChIKey of 1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol?
The InChIKey is KQAAMUTYGIXKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-11(2,3)16-6-4-12(17,5-7-16)8-10-9-13(10,14)15/h10,17H,4-9H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol?
1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol has a molecular weight of 247.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(2,2-difluorocyclopropyl)methyl]piperidin-4-ol is sourced from PubChem (CID 90419709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).