(1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride

C14H19ClFNO3 — CID 2947737

IUPAC(1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride
SMILESCN1CCC(OC(=O)COc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C14H18FNO3.ClH/c1-16-8-6-13(7-9-16)19-14(17)10-18-12-4-2-11(15)3-5-12;/h2-5,13H,6-10H2,1H3;1H
InChIKeySWBQIDVNPRCTPH-UHFFFAOYSA-N
MW303.76 g/mol
LogP2.26
Rot. Bonds4

About (1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride

(1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride (PubChem CID 2947737) has the molecular formula C14H19ClFNO3 and a molecular weight of 303.76 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride
PubChem CID2947737
Molecular FormulaC14H19ClFNO3
Molecular Weight303.76 g/mol
Exact Mass303.10
IUPAC Name(1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride
SMILESCN1CCC(OC(=O)COc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C14H18FNO3.ClH/c1-16-8-6-13(7-9-16)19-14(17)10-18-12-4-2-11(15)3-5-12;/h2-5,13H,6-10H2,1H3;1H
InChIKeySWBQIDVNPRCTPH-UHFFFAOYSA-N
XLogP2.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride?
The IUPAC name of (1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride (CID 2947737) is (1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride is CN1CCC(OC(=O)COc2ccc(F)cc2)CC1.Cl.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride?
The InChIKey is SWBQIDVNPRCTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3.ClH/c1-16-8-6-13(7-9-16)19-14(17)10-18-12-4-2-11(15)3-5-12;/h2-5,13H,6-10H2,1H3;1H.
What are the key properties of (1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride?
(1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride has a molecular weight of 303.76 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2-(4-fluorophenoxy)acetate;hydrochloride is sourced from PubChem (CID 2947737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).