5-(difluoromethyl)-6-ethylpiperidin-3-ol

C8H15F2NO — CID 126716171

IUPAC5-(difluoromethyl)-6-ethylpiperidin-3-ol
SMILESCCC1NCC(O)CC1C(F)F
InChIInChI=1S/C8H15F2NO/c1-2-7-6(8(9)10)3-5(12)4-11-7/h5-8,11-12H,2-4H2,1H3
InChIKeyNKRVULMWGJUEBJ-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.00
Rot. Bonds2

About 5-(difluoromethyl)-6-ethylpiperidin-3-ol

5-(difluoromethyl)-6-ethylpiperidin-3-ol (PubChem CID 126716171) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-ethylpiperidin-3-ol.

Molecular Properties

Compound Name5-(difluoromethyl)-6-ethylpiperidin-3-ol
PubChem CID126716171
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name5-(difluoromethyl)-6-ethylpiperidin-3-ol
SMILESCCC1NCC(O)CC1C(F)F
InChIInChI=1S/C8H15F2NO/c1-2-7-6(8(9)10)3-5(12)4-11-7/h5-8,11-12H,2-4H2,1H3
InChIKeyNKRVULMWGJUEBJ-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-ethylpiperidin-3-ol?
The IUPAC name of 5-(difluoromethyl)-6-ethylpiperidin-3-ol (CID 126716171) is 5-(difluoromethyl)-6-ethylpiperidin-3-ol.
What is the SMILES notation for 5-(difluoromethyl)-6-ethylpiperidin-3-ol?
The canonical SMILES for 5-(difluoromethyl)-6-ethylpiperidin-3-ol is CCC1NCC(O)CC1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-6-ethylpiperidin-3-ol?
The InChIKey is NKRVULMWGJUEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-2-7-6(8(9)10)3-5(12)4-11-7/h5-8,11-12H,2-4H2,1H3.
What are the key properties of 5-(difluoromethyl)-6-ethylpiperidin-3-ol?
5-(difluoromethyl)-6-ethylpiperidin-3-ol has a molecular weight of 179.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-ethylpiperidin-3-ol is sourced from PubChem (CID 126716171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).