2-(1-ethylpiperidin-3-yl)-2-fluoroethanol

C9H18FNO — CID 105436243

IUPAC2-(1-ethylpiperidin-3-yl)-2-fluoroethanol
SMILESCCN1CCCC(C(F)CO)C1
InChIInChI=1S/C9H18FNO/c1-2-11-5-3-4-8(6-11)9(10)7-12/h8-9,12H,2-7H2,1H3
InChIKeyMQXISLNPIIGPPZ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds3

About 2-(1-ethylpiperidin-3-yl)-2-fluoroethanol

2-(1-ethylpiperidin-3-yl)-2-fluoroethanol (PubChem CID 105436243) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)-2-fluoroethanol.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)-2-fluoroethanol
PubChem CID105436243
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-(1-ethylpiperidin-3-yl)-2-fluoroethanol
SMILESCCN1CCCC(C(F)CO)C1
InChIInChI=1S/C9H18FNO/c1-2-11-5-3-4-8(6-11)9(10)7-12/h8-9,12H,2-7H2,1H3
InChIKeyMQXISLNPIIGPPZ-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-3-yl)-2-fluoroethanol?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)-2-fluoroethanol (CID 105436243) is 2-(1-ethylpiperidin-3-yl)-2-fluoroethanol.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)-2-fluoroethanol?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)-2-fluoroethanol is CCN1CCCC(C(F)CO)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)-2-fluoroethanol?
The InChIKey is MQXISLNPIIGPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-2-11-5-3-4-8(6-11)9(10)7-12/h8-9,12H,2-7H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-3-yl)-2-fluoroethanol?
2-(1-ethylpiperidin-3-yl)-2-fluoroethanol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)-2-fluoroethanol is sourced from PubChem (CID 105436243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).