3-fluoro-1-(2-methylpropyl)piperidin-4-ol

C9H18FNO — CID 146713076

IUPAC3-fluoro-1-(2-methylpropyl)piperidin-4-ol
SMILESCC(C)CN1CCC(O)C(F)C1
InChIInChI=1S/C9H18FNO/c1-7(2)5-11-4-3-9(12)8(10)6-11/h7-9,12H,3-6H2,1-2H3
InChIKeyRCRYGQVLHWZVSI-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds2

About 3-fluoro-1-(2-methylpropyl)piperidin-4-ol

3-fluoro-1-(2-methylpropyl)piperidin-4-ol (PubChem CID 146713076) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-1-(2-methylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name3-fluoro-1-(2-methylpropyl)piperidin-4-ol
PubChem CID146713076
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-1-(2-methylpropyl)piperidin-4-ol
SMILESCC(C)CN1CCC(O)C(F)C1
InChIInChI=1S/C9H18FNO/c1-7(2)5-11-4-3-9(12)8(10)6-11/h7-9,12H,3-6H2,1-2H3
InChIKeyRCRYGQVLHWZVSI-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(2-methylpropyl)piperidin-4-ol?
The IUPAC name of 3-fluoro-1-(2-methylpropyl)piperidin-4-ol (CID 146713076) is 3-fluoro-1-(2-methylpropyl)piperidin-4-ol.
What is the SMILES notation for 3-fluoro-1-(2-methylpropyl)piperidin-4-ol?
The canonical SMILES for 3-fluoro-1-(2-methylpropyl)piperidin-4-ol is CC(C)CN1CCC(O)C(F)C1.
What is the InChIKey of 3-fluoro-1-(2-methylpropyl)piperidin-4-ol?
The InChIKey is RCRYGQVLHWZVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)5-11-4-3-9(12)8(10)6-11/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-1-(2-methylpropyl)piperidin-4-ol?
3-fluoro-1-(2-methylpropyl)piperidin-4-ol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(2-methylpropyl)piperidin-4-ol is sourced from PubChem (CID 146713076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).