(3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide

C12H22F2N2O2 — CID 118374752

IUPAC(3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide
SMILESC[C@H](CCN1CCC(F)(F)CC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H22F2N2O2/c1-9(10(17)8-11(15)18)2-5-16-6-3-12(13,14)4-7-16/h9-10,17H,2-8H2,1H3,(H2,15,18)/t9-,10+/m1/s1
InChIKeyDTAIKBYOXMGZHK-ZJUUUORDSA-N
MW264.32 g/mol
LogP0.98
Rot. Bonds6

About (3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide

(3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide (PubChem CID 118374752) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide.

Molecular Properties

Compound Name(3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide
PubChem CID118374752
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name(3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide
SMILESC[C@H](CCN1CCC(F)(F)CC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H22F2N2O2/c1-9(10(17)8-11(15)18)2-5-16-6-3-12(13,14)4-7-16/h9-10,17H,2-8H2,1H3,(H2,15,18)/t9-,10+/m1/s1
InChIKeyDTAIKBYOXMGZHK-ZJUUUORDSA-N
XLogP0.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide?
The IUPAC name of (3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide (CID 118374752) is (3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide.
What is the SMILES notation for (3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide?
The canonical SMILES for (3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide is C[C@H](CCN1CCC(F)(F)CC1)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide?
The InChIKey is DTAIKBYOXMGZHK-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-9(10(17)8-11(15)18)2-5-16-6-3-12(13,14)4-7-16/h9-10,17H,2-8H2,1H3,(H2,15,18)/t9-,10+/m1/s1.
What are the key properties of (3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide?
(3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide has a molecular weight of 264.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide is sourced from PubChem (CID 118374752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).