3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol

C11H22FNO2 — CID 67281900

IUPAC3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol
SMILESCC(CF)OC1CCN(CCCO)CC1
InChIInChI=1S/C11H22FNO2/c1-10(9-12)15-11-3-6-13(7-4-11)5-2-8-14/h10-11,14H,2-9H2,1H3
InChIKeyPIQXWSSZHOYTDY-UHFFFAOYSA-N
MW219.30 g/mol
LogP1.21
Rot. Bonds6

About 3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol

3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol (PubChem CID 67281900) has the molecular formula C11H22FNO2 and a molecular weight of 219.30 g/mol. Its IUPAC name is 3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol
PubChem CID67281900
Molecular FormulaC11H22FNO2
Molecular Weight219.30 g/mol
Exact Mass219.16
IUPAC Name3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol
SMILESCC(CF)OC1CCN(CCCO)CC1
InChIInChI=1S/C11H22FNO2/c1-10(9-12)15-11-3-6-13(7-4-11)5-2-8-14/h10-11,14H,2-9H2,1H3
InChIKeyPIQXWSSZHOYTDY-UHFFFAOYSA-N
XLogP1.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol (CID 67281900) is 3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol is CC(CF)OC1CCN(CCCO)CC1.
What is the InChIKey of 3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol?
The InChIKey is PIQXWSSZHOYTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO2/c1-10(9-12)15-11-3-6-13(7-4-11)5-2-8-14/h10-11,14H,2-9H2,1H3.
What are the key properties of 3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol?
3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol has a molecular weight of 219.30 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-fluoropropan-2-yloxy)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 67281900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).