[3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol

C13H25FN2O — CID 137455507

IUPAC[3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol
SMILESCN1CC(F)CC(C2CN(C)CCC2CO)C1
InChIInChI=1S/C13H25FN2O/c1-15-4-3-10(9-17)13(8-15)11-5-12(14)7-16(2)6-11/h10-13,17H,3-9H2,1-2H3
InChIKeyDDHFMULCJLZMEP-UHFFFAOYSA-N
MW244.35 g/mol
LogP0.84
Rot. Bonds2

About [3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol

[3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol (PubChem CID 137455507) has the molecular formula C13H25FN2O and a molecular weight of 244.35 g/mol. Its IUPAC name is [3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol
PubChem CID137455507
Molecular FormulaC13H25FN2O
Molecular Weight244.35 g/mol
Exact Mass244.20
IUPAC Name[3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol
SMILESCN1CC(F)CC(C2CN(C)CCC2CO)C1
InChIInChI=1S/C13H25FN2O/c1-15-4-3-10(9-17)13(8-15)11-5-12(14)7-16(2)6-11/h10-13,17H,3-9H2,1-2H3
InChIKeyDDHFMULCJLZMEP-UHFFFAOYSA-N
XLogP0.84
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol?
The IUPAC name of [3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol (CID 137455507) is [3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol.
What is the SMILES notation for [3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol?
The canonical SMILES for [3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol is CN1CC(F)CC(C2CN(C)CCC2CO)C1.
What is the InChIKey of [3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol?
The InChIKey is DDHFMULCJLZMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O/c1-15-4-3-10(9-17)13(8-15)11-5-12(14)7-16(2)6-11/h10-13,17H,3-9H2,1-2H3.
What are the key properties of [3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol?
[3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol has a molecular weight of 244.35 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-1-methylpiperidin-3-yl)-1-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 137455507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).