(4-fluoro-1-methylpiperidin-4-yl)methanediol

C7H14FNO2 — CID 123955968

IUPAC(4-fluoro-1-methylpiperidin-4-yl)methanediol
SMILESCN1CCC(F)(C(O)O)CC1
InChIInChI=1S/C7H14FNO2/c1-9-4-2-7(8,3-5-9)6(10)11/h6,10-11H,2-5H2,1H3
InChIKeyHFENGNWGGYRXMI-UHFFFAOYSA-N
MW163.19 g/mol
LogP-0.27
Rot. Bonds1

About (4-fluoro-1-methylpiperidin-4-yl)methanediol

(4-fluoro-1-methylpiperidin-4-yl)methanediol (PubChem CID 123955968) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is (4-fluoro-1-methylpiperidin-4-yl)methanediol.

Molecular Properties

Compound Name(4-fluoro-1-methylpiperidin-4-yl)methanediol
PubChem CID123955968
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name(4-fluoro-1-methylpiperidin-4-yl)methanediol
SMILESCN1CCC(F)(C(O)O)CC1
InChIInChI=1S/C7H14FNO2/c1-9-4-2-7(8,3-5-9)6(10)11/h6,10-11H,2-5H2,1H3
InChIKeyHFENGNWGGYRXMI-UHFFFAOYSA-N
XLogP-0.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-methylpiperidin-4-yl)methanediol?
The IUPAC name of (4-fluoro-1-methylpiperidin-4-yl)methanediol (CID 123955968) is (4-fluoro-1-methylpiperidin-4-yl)methanediol.
What is the SMILES notation for (4-fluoro-1-methylpiperidin-4-yl)methanediol?
The canonical SMILES for (4-fluoro-1-methylpiperidin-4-yl)methanediol is CN1CCC(F)(C(O)O)CC1.
What is the InChIKey of (4-fluoro-1-methylpiperidin-4-yl)methanediol?
The InChIKey is HFENGNWGGYRXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-9-4-2-7(8,3-5-9)6(10)11/h6,10-11H,2-5H2,1H3.
What are the key properties of (4-fluoro-1-methylpiperidin-4-yl)methanediol?
(4-fluoro-1-methylpiperidin-4-yl)methanediol has a molecular weight of 163.19 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-methylpiperidin-4-yl)methanediol is sourced from PubChem (CID 123955968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).