(2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride

C9H15ClFNO2 — CID 170169421

IUPAC(2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride
SMILESCC(=O)OCC(F)=C1CCNCC1.Cl
InChIInChI=1S/C9H14FNO2.ClH/c1-7(12)13-6-9(10)8-2-4-11-5-3-8;/h11H,2-6H2,1H3;1H
InChIKeyVEEHUMJGWSEJQO-UHFFFAOYSA-N
MW223.67 g/mol
LogP1.58
Rot. Bonds2

About (2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride

(2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride (PubChem CID 170169421) has the molecular formula C9H15ClFNO2 and a molecular weight of 223.67 g/mol. Its IUPAC name is (2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride.

Molecular Properties

Compound Name(2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride
PubChem CID170169421
Molecular FormulaC9H15ClFNO2
Molecular Weight223.67 g/mol
Exact Mass223.08
IUPAC Name(2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride
SMILESCC(=O)OCC(F)=C1CCNCC1.Cl
InChIInChI=1S/C9H14FNO2.ClH/c1-7(12)13-6-9(10)8-2-4-11-5-3-8;/h11H,2-6H2,1H3;1H
InChIKeyVEEHUMJGWSEJQO-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.67
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride?
The IUPAC name of (2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride (CID 170169421) is (2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride.
What is the SMILES notation for (2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride?
The canonical SMILES for (2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride is CC(=O)OCC(F)=C1CCNCC1.Cl.
What is the InChIKey of (2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride?
The InChIKey is VEEHUMJGWSEJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2.ClH/c1-7(12)13-6-9(10)8-2-4-11-5-3-8;/h11H,2-6H2,1H3;1H.
What are the key properties of (2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride?
(2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride has a molecular weight of 223.67 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-2-piperidin-4-ylideneethyl) acetate;hydrochloride is sourced from PubChem (CID 170169421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).