(4-fluoro-1,3-dimethylpiperidin-3-yl)methanol

C8H16FNO — CID 171478986

IUPAC(4-fluoro-1,3-dimethylpiperidin-3-yl)methanol
SMILESCN1CCC(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
InChIKeyMCRHGKYILWVGKI-UHFFFAOYSA-N
MW161.22 g/mol
LogP0.66
Rot. Bonds1

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

(4-fluoro-1,3-dimethylpiperidin-3-yl)methanol (PubChem CID 171478986) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (4-fluoro-1,3-dimethylpiperidin-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-1,3-dimethylpiperidin-3-yl)methanol
PubChem CID171478986
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(4-fluoro-1,3-dimethylpiperidin-3-yl)methanol
SMILESCN1CCC(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
InChIKeyMCRHGKYILWVGKI-UHFFFAOYSA-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 (4-fluoro-1,3-dimethylpiperidin-3-yl)methanol?
The IUPAC name of (4-fluoro-1,3-dimethylpiperidin-3-yl)methanol (CID 171478986) is (4-fluoro-1,3-dimethylpiperidin-3-yl)methanol.
What is the SMILES notation for (4-fluoro-1,3-dimethylpiperidin-3-yl)methanol?
The canonical SMILES for (4-fluoro-1,3-dimethylpiperidin-3-yl)methanol is CN1CCC(F)C(C)(CO)C1.
What is the InChIKey of (4-fluoro-1,3-dimethylpiperidin-3-yl)methanol?
The InChIKey is MCRHGKYILWVGKI-UHFFFAOYSA-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.
What are the key properties of (4-fluoro-1,3-dimethylpiperidin-3-yl)methanol?
(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 (4-fluoro-1,3-dimethylpiperidin-3-yl)methanol is sourced from PubChem (CID 171478986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).