3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol

C10H20FNO — CID 67281682

IUPAC3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol
SMILESCC(F)C1CCCN(CCCO)C1
InChIInChI=1S/C10H20FNO/c1-9(11)10-4-2-5-12(8-10)6-3-7-13/h9-10,13H,2-8H2,1H3
InChIKeyDEQQFORAFSPZDU-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.44
Rot. Bonds4

About 3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol

3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol (PubChem CID 67281682) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol
PubChem CID67281682
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol
SMILESCC(F)C1CCCN(CCCO)C1
InChIInChI=1S/C10H20FNO/c1-9(11)10-4-2-5-12(8-10)6-3-7-13/h9-10,13H,2-8H2,1H3
InChIKeyDEQQFORAFSPZDU-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol?
The IUPAC name of 3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol (CID 67281682) is 3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol is CC(F)C1CCCN(CCCO)C1.
What is the InChIKey of 3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol?
The InChIKey is DEQQFORAFSPZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-9(11)10-4-2-5-12(8-10)6-3-7-13/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol?
3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol has a molecular weight of 189.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-fluoroethyl)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 67281682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).