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

C15H22ClNO4 — CID 2947245

IUPAC(1-methylpiperidin-4-yl) 2-(4-methoxyphenoxy)acetate;hydrochloride
SMILESCOc1ccc(OCC(=O)OC2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C15H21NO4.ClH/c1-16-9-7-14(8-10-16)20-15(17)11-19-13-5-3-12(18-2)4-6-13;/h3-6,14H,7-11H2,1-2H3;1H
InChIKeyMDAVMVJRYPVHMW-UHFFFAOYSA-N
MW315.80 g/mol
LogP2.13
Rot. Bonds5

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

(1-methylpiperidin-4-yl) 2-(4-methoxyphenoxy)acetate;hydrochloride (PubChem CID 2947245) has the molecular formula C15H22ClNO4 and a molecular weight of 315.80 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-(4-methoxyphenoxy)acetate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-(4-methoxyphenoxy)acetate;hydrochloride
PubChem CID2947245
Molecular FormulaC15H22ClNO4
Molecular Weight315.80 g/mol
Exact Mass315.12
IUPAC Name(1-methylpiperidin-4-yl) 2-(4-methoxyphenoxy)acetate;hydrochloride
SMILESCOc1ccc(OCC(=O)OC2CCN(C)CC2)cc1.Cl
InChIInChI=1S/C15H21NO4.ClH/c1-16-9-7-14(8-10-16)20-15(17)11-19-13-5-3-12(18-2)4-6-13;/h3-6,14H,7-11H2,1-2H3;1H
InChIKeyMDAVMVJRYPVHMW-UHFFFAOYSA-N
XLogP2.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-(4-methoxyphenoxy)acetate;hydrochloride?
The IUPAC name of (1-methylpiperidin-4-yl) 2-(4-methoxyphenoxy)acetate;hydrochloride (CID 2947245) is (1-methylpiperidin-4-yl) 2-(4-methoxyphenoxy)acetate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-(4-methoxyphenoxy)acetate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-(4-methoxyphenoxy)acetate;hydrochloride is COc1ccc(OCC(=O)OC2CCN(C)CC2)cc1.Cl.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-(4-methoxyphenoxy)acetate;hydrochloride?
The InChIKey is MDAVMVJRYPVHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4.ClH/c1-16-9-7-14(8-10-16)20-15(17)11-19-13-5-3-12(18-2)4-6-13;/h3-6,14H,7-11H2,1-2H3;1H.
What are the key properties of (1-methylpiperidin-4-yl) 2-(4-methoxyphenoxy)acetate;hydrochloride?
(1-methylpiperidin-4-yl) 2-(4-methoxyphenoxy)acetate;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2-(4-methoxyphenoxy)acetate;hydrochloride is sourced from PubChem (CID 2947245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).