3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol

C9H18FNO — CID 142524248

IUPAC3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol
SMILESCC1(F)CCN(CCCO)CC1
InChIInChI=1S/C9H18FNO/c1-9(10)3-6-11(7-4-9)5-2-8-12/h12H,2-8H2,1H3
InChIKeyJNUDGWZOJLMSHZ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds3

About 3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol

3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol (PubChem CID 142524248) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol
PubChem CID142524248
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol
SMILESCC1(F)CCN(CCCO)CC1
InChIInChI=1S/C9H18FNO/c1-9(10)3-6-11(7-4-9)5-2-8-12/h12H,2-8H2,1H3
InChIKeyJNUDGWZOJLMSHZ-UHFFFAOYSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol (CID 142524248) is 3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol is CC1(F)CCN(CCCO)CC1.
What is the InChIKey of 3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol?
The InChIKey is JNUDGWZOJLMSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-9(10)3-6-11(7-4-9)5-2-8-12/h12H,2-8H2,1H3.
What are the key properties of 3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol?
3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-4-methylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 142524248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).