5-(1-fluoropropyl)-4-methylpiperidin-3-ol

C9H18FNO — CID 123577643

IUPAC5-(1-fluoropropyl)-4-methylpiperidin-3-ol
SMILESCCC(F)C1CNCC(O)C1C
InChIInChI=1S/C9H18FNO/c1-3-8(10)7-4-11-5-9(12)6(7)2/h6-9,11-12H,3-5H2,1-2H3
InChIKeyKPKXEXHPNFYOLJ-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.95
Rot. Bonds2

About 5-(1-fluoropropyl)-4-methylpiperidin-3-ol

5-(1-fluoropropyl)-4-methylpiperidin-3-ol (PubChem CID 123577643) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 5-(1-fluoropropyl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name5-(1-fluoropropyl)-4-methylpiperidin-3-ol
PubChem CID123577643
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name5-(1-fluoropropyl)-4-methylpiperidin-3-ol
SMILESCCC(F)C1CNCC(O)C1C
InChIInChI=1S/C9H18FNO/c1-3-8(10)7-4-11-5-9(12)6(7)2/h6-9,11-12H,3-5H2,1-2H3
InChIKeyKPKXEXHPNFYOLJ-UHFFFAOYSA-N
XLogP0.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoropropyl)-4-methylpiperidin-3-ol?
The IUPAC name of 5-(1-fluoropropyl)-4-methylpiperidin-3-ol (CID 123577643) is 5-(1-fluoropropyl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 5-(1-fluoropropyl)-4-methylpiperidin-3-ol?
The canonical SMILES for 5-(1-fluoropropyl)-4-methylpiperidin-3-ol is CCC(F)C1CNCC(O)C1C.
What is the InChIKey of 5-(1-fluoropropyl)-4-methylpiperidin-3-ol?
The InChIKey is KPKXEXHPNFYOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-3-8(10)7-4-11-5-9(12)6(7)2/h6-9,11-12H,3-5H2,1-2H3.
What are the key properties of 5-(1-fluoropropyl)-4-methylpiperidin-3-ol?
5-(1-fluoropropyl)-4-methylpiperidin-3-ol has a molecular weight of 175.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoropropyl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 123577643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).