[(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol

C8H16FNO — CID 174206365

IUPAC[(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol
SMILESCN1CC[C@H](F)[C@](C)(CO)C1
InChIInChI=1S/C8H16FNO/c1-8(6-11)5-10(2)4-3-7(8)9/h7,11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyMCRHGKYILWVGKI-YUMQZZPRSA-N
MW161.22 g/mol
LogP0.66
Rot. Bonds1

About [(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol

[(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol (PubChem CID 174206365) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is [(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol
PubChem CID174206365
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name[(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol
SMILESCN1CC[C@H](F)[C@](C)(CO)C1
InChIInChI=1S/C8H16FNO/c1-8(6-11)5-10(2)4-3-7(8)9/h7,11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyMCRHGKYILWVGKI-YUMQZZPRSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol (CID 174206365) is [(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol is CN1CC[C@H](F)[C@](C)(CO)C1.
What is the InChIKey of [(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol?
The InChIKey is MCRHGKYILWVGKI-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(6-11)5-10(2)4-3-7(8)9/h7,11H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of [(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol?
[(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol has a molecular weight of 161.22 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-fluoro-1,3-dimethylpiperidin-3-yl]methanol is sourced from PubChem (CID 174206365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).