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

C15H22ClNO3 — CID 2947870

IUPAC(1-methylpiperidin-4-yl) 2-(2-methylphenoxy)acetate;hydrochloride
SMILESCc1ccccc1OCC(=O)OC1CCN(C)CC1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-12-5-3-4-6-14(12)18-11-15(17)19-13-7-9-16(2)10-8-13;/h3-6,13H,7-11H2,1-2H3;1H
InChIKeyQLPBSYNJIQXOOO-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.43
Rot. Bonds4

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

(1-methylpiperidin-4-yl) 2-(2-methylphenoxy)acetate;hydrochloride (PubChem CID 2947870) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-(2-methylphenoxy)acetate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-(2-methylphenoxy)acetate;hydrochloride
PubChem CID2947870
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name(1-methylpiperidin-4-yl) 2-(2-methylphenoxy)acetate;hydrochloride
SMILESCc1ccccc1OCC(=O)OC1CCN(C)CC1.Cl
InChIInChI=1S/C15H21NO3.ClH/c1-12-5-3-4-6-14(12)18-11-15(17)19-13-7-9-16(2)10-8-13;/h3-6,13H,7-11H2,1-2H3;1H
InChIKeyQLPBSYNJIQXOOO-UHFFFAOYSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.43
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-(2-methylphenoxy)acetate;hydrochloride?
The IUPAC name of (1-methylpiperidin-4-yl) 2-(2-methylphenoxy)acetate;hydrochloride (CID 2947870) is (1-methylpiperidin-4-yl) 2-(2-methylphenoxy)acetate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-(2-methylphenoxy)acetate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-(2-methylphenoxy)acetate;hydrochloride is Cc1ccccc1OCC(=O)OC1CCN(C)CC1.Cl.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-(2-methylphenoxy)acetate;hydrochloride?
The InChIKey is QLPBSYNJIQXOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.ClH/c1-12-5-3-4-6-14(12)18-11-15(17)19-13-7-9-16(2)10-8-13;/h3-6,13H,7-11H2,1-2H3;1H.
What are the key properties of (1-methylpiperidin-4-yl) 2-(2-methylphenoxy)acetate;hydrochloride?
(1-methylpiperidin-4-yl) 2-(2-methylphenoxy)acetate;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.43, 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-(2-methylphenoxy)acetate;hydrochloride is sourced from PubChem (CID 2947870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).