(3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol

C7H14FNO — CID 126671032

IUPAC(3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](F)[C@@H](O)CN1C
InChIInChI=1S/C7H14FNO/c1-5-3-6(8)7(10)4-9(5)2/h5-7,10H,3-4H2,1-2H3/t5-,6+,7+/m1/s1
InChIKeyHVCWNIAIKPBMLA-VQVTYTSYSA-N
MW147.19 g/mol
LogP0.41
Rot. Bonds

About (3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol

(3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol (PubChem CID 126671032) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol
PubChem CID126671032
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol
SMILESC[C@@H]1C[C@H](F)[C@@H](O)CN1C
InChIInChI=1S/C7H14FNO/c1-5-3-6(8)7(10)4-9(5)2/h5-7,10H,3-4H2,1-2H3/t5-,6+,7+/m1/s1
InChIKeyHVCWNIAIKPBMLA-VQVTYTSYSA-N
XLogP0.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol?
The IUPAC name of (3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol (CID 126671032) is (3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol.
What is the SMILES notation for (3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol?
The canonical SMILES for (3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol is C[C@@H]1C[C@H](F)[C@@H](O)CN1C.
What is the InChIKey of (3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol?
The InChIKey is HVCWNIAIKPBMLA-VQVTYTSYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-5-3-6(8)7(10)4-9(5)2/h5-7,10H,3-4H2,1-2H3/t5-,6+,7+/m1/s1.
What are the key properties of (3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol?
(3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol has a molecular weight of 147.19 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6R)-4-fluoro-1,6-dimethylpiperidin-3-ol is sourced from PubChem (CID 126671032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).