2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol

C16H21F2NO — CID 58951018

IUPAC2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
SMILESCN1CCC(C2(O)c3ccccc3CCC2(F)F)CC1
InChIInChI=1S/C16H21F2NO/c1-19-10-7-13(8-11-19)16(20)14-5-3-2-4-12(14)6-9-15(16,17)18/h2-5,13,20H,6-11H2,1H3
InChIKeyKHIOFXRJLGLJFS-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.80
Rot. Bonds1

About 2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol

2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol (PubChem CID 58951018) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is 2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
PubChem CID58951018
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
SMILESCN1CCC(C2(O)c3ccccc3CCC2(F)F)CC1
InChIInChI=1S/C16H21F2NO/c1-19-10-7-13(8-11-19)16(20)14-5-3-2-4-12(14)6-9-15(16,17)18/h2-5,13,20H,6-11H2,1H3
InChIKeyKHIOFXRJLGLJFS-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol?
The IUPAC name of 2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol (CID 58951018) is 2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol.
What is the SMILES notation for 2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol?
The canonical SMILES for 2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol is CN1CCC(C2(O)c3ccccc3CCC2(F)F)CC1.
What is the InChIKey of 2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol?
The InChIKey is KHIOFXRJLGLJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c1-19-10-7-13(8-11-19)16(20)14-5-3-2-4-12(14)6-9-15(16,17)18/h2-5,13,20H,6-11H2,1H3.
What are the key properties of 2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol?
2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol has a molecular weight of 281.35 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol is sourced from PubChem (CID 58951018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).